(2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
type: datablock
datablock name: 6O9
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

6O9
type: chem comp
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
chem comp.id: 6O9
chem comp.formula: C12 H24 N O8 P
chem comp.formula weight: 341.295
chem comp.name: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2016-05-12
chem comp.pdbx model coordinates db code: 5IRX
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2016-05-20
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 6O9
chem comp.type: non-polymer

N01,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: N01
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.760
chem comp atom.model cartn y: 131.853
chem comp atom.model cartn z: 156.777
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N01
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.538
chem comp atom.pdbx model cartn y ideal: -1.119
chem comp atom.pdbx model cartn z ideal: 1.784
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C02,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C02
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.966
chem comp atom.model cartn y: 132.625
chem comp atom.model cartn z: 156.606
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C02
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.691
chem comp atom.pdbx model cartn y ideal: -0.883
chem comp atom.pdbx model cartn z ideal: 0.342
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C03,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C03
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.886
chem comp atom.model cartn y: 133.361
chem comp atom.model cartn z: 155.277
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C03
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.849
chem comp atom.pdbx model cartn y ideal: 0.327
chem comp atom.pdbx model cartn z ideal: -0.069
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O04,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: O04
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 149.070
chem comp atom.model cartn y: 133.139
chem comp atom.model cartn z: 154.571
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O04
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.464
chem comp atom.pdbx model cartn y ideal: 0.030
chem comp atom.pdbx model cartn z ideal: 0.120
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

P05,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: P05
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: P1
chem comp atom.charge: 0
chem comp atom.model cartn x: 149.313
chem comp atom.model cartn y: 131.631
chem comp atom.model cartn z: 153.961
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: P05
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.289
chem comp atom.pdbx model cartn y ideal: 1.079
chem comp atom.pdbx model cartn z ideal: -0.212
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: P

O06,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: O06
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: 148.320
chem comp atom.model cartn y: 130.686
chem comp atom.model cartn z: 154.590
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O06
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.406
chem comp atom.pdbx model cartn y ideal: 2.345
chem comp atom.pdbx model cartn z ideal: 0.775
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O07,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: O07
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: 150.719
chem comp atom.model cartn y: 131.172
chem comp atom.model cartn z: 154.265
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O07
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.416
chem comp atom.pdbx model cartn y ideal: 1.533
chem comp atom.pdbx model cartn z ideal: -1.615
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O08,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: O08
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: O4
chem comp atom.charge: 0
chem comp atom.model cartn x: 149.069
chem comp atom.model cartn y: 131.671
chem comp atom.model cartn z: 152.335
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O08
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.860
chem comp atom.pdbx model cartn y ideal: 0.367
chem comp atom.pdbx model cartn z ideal: -0.005
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C09,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C09
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 148.483
chem comp atom.model cartn y: 130.560
chem comp atom.model cartn z: 151.725
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C09
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.621
chem comp atom.pdbx model cartn y ideal: 1.004
chem comp atom.pdbx model cartn z ideal: -0.321
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.193
chem comp atom.model cartn y: 130.995
chem comp atom.model cartn z: 151.041
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.536
chem comp atom.pdbx model cartn y ideal: 0.053
chem comp atom.pdbx model cartn z ideal: -0.006
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C11,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.731
chem comp atom.model cartn y: 129.987
chem comp atom.model cartn z: 149.994
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.866
chem comp atom.pdbx model cartn y ideal: 0.778
chem comp atom.pdbx model cartn z ideal: -0.225
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O12,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: O12
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: O5
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.067
chem comp atom.model cartn y: 130.668
chem comp atom.model cartn z: 148.973
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O12
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.960
chem comp atom.pdbx model cartn y ideal: -0.084
chem comp atom.pdbx model cartn z ideal: 0.186
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C13,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.916
chem comp atom.model cartn y: 129.928
chem comp atom.model cartn z: 147.799
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.203
chem comp atom.pdbx model cartn y ideal: 0.406
chem comp atom.pdbx model cartn z ideal: 0.057
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.278
chem comp atom.model cartn y: 130.585
chem comp atom.model cartn z: 146.584
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.389
chem comp atom.pdbx model cartn y ideal: -0.431
chem comp atom.pdbx model cartn z ideal: 0.464
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.510
chem comp atom.model cartn y: 129.837
chem comp atom.model cartn z: 145.279
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.677
chem comp atom.pdbx model cartn y ideal: 0.356
chem comp atom.pdbx model cartn z ideal: 0.217
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.471
chem comp atom.model cartn y: 130.213
chem comp atom.model cartn z: 144.231
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.881
chem comp atom.pdbx model cartn y ideal: -0.493
chem comp atom.pdbx model cartn z ideal: 0.629
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.809
chem comp atom.model cartn y: 129.745
chem comp atom.model cartn z: 142.821
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.169
chem comp atom.pdbx model cartn y ideal: 0.294
chem comp atom.pdbx model cartn z ideal: 0.382
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O18,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: O18
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: O6
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.276
chem comp atom.model cartn y: 128.804
chem comp atom.model cartn z: 147.749
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O18
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.371
chem comp atom.pdbx model cartn y ideal: 1.518
chem comp atom.pdbx model cartn z ideal: -0.385
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O19,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: O19
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: O7
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.423
chem comp atom.model cartn y: 132.221
chem comp atom.model cartn z: 150.406
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O19
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.465
chem comp atom.pdbx model cartn y ideal: -1.103
chem comp atom.pdbx model cartn z ideal: -0.882
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C20,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.101
chem comp atom.model cartn y: 133.353
chem comp atom.model cartn z: 151.167
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.249
chem comp atom.pdbx model cartn y ideal: -2.153
chem comp atom.pdbx model cartn z ideal: -0.447
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.752
chem comp atom.model cartn y: 134.672
chem comp atom.model cartn z: 150.473
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.368
chem comp atom.pdbx model cartn y ideal: -3.389
chem comp atom.pdbx model cartn z ideal: -1.301
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O22,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: O22
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: O8
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.105
chem comp atom.model cartn y: 133.294
chem comp atom.model cartn z: 152.350
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O22
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.795
chem comp atom.pdbx model cartn y ideal: -2.108
chem comp atom.pdbx model cartn z ideal: 0.630
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

H012,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H012
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.798
chem comp atom.model cartn y: 131.363
chem comp atom.model cartn z: 157.648
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H012
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.084
chem comp atom.pdbx model cartn y ideal: -1.913
chem comp atom.pdbx model cartn z ideal: 2.081
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H011,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H011
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.969
chem comp atom.model cartn y: 132.465
chem comp atom.model cartn z: 156.774
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H011
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.566
chem comp atom.pdbx model cartn y ideal: -1.236
chem comp atom.pdbx model cartn z ideal: 2.030
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H022,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H022
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 148.838
chem comp atom.model cartn y: 131.955
chem comp atom.model cartn z: 156.607
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H022
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.357
chem comp atom.pdbx model cartn y ideal: -1.762
chem comp atom.pdbx model cartn z ideal: -0.207
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H021,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H021
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 148.061
chem comp atom.model cartn y: 133.351
chem comp atom.model cartn z: 157.427
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H021
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.740
chem comp atom.pdbx model cartn y ideal: -0.690
chem comp atom.pdbx model cartn z ideal: 0.116
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H032,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H032
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.759
chem comp atom.model cartn y: 134.439
chem comp atom.model cartn z: 155.458
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H032
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.032
chem comp atom.pdbx model cartn y ideal: 0.556
chem comp atom.pdbx model cartn z ideal: -1.119
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H031,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H031
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.032
chem comp atom.model cartn y: 132.984
chem comp atom.model cartn z: 154.696
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H031
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.124
chem comp atom.pdbx model cartn y ideal: 1.186
chem comp atom.pdbx model cartn z ideal: 0.544
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 148.785
chem comp atom.model cartn y: 129.996
chem comp atom.model cartn z: 155.048
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.332
chem comp atom.pdbx model cartn y ideal: 2.122
chem comp atom.pdbx model cartn z ideal: 1.712
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H092,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H092
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 148.259
chem comp atom.model cartn y: 129.797
chem comp atom.model cartn z: 152.485
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H092
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.603
chem comp atom.pdbx model cartn y ideal: 1.260
chem comp atom.pdbx model cartn z ideal: -1.380
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H091,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H091
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 149.174
chem comp atom.model cartn y: 130.142
chem comp atom.model cartn z: 150.978
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H091
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.517
chem comp atom.pdbx model cartn y ideal: 1.912
chem comp atom.pdbx model cartn z ideal: 0.273
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H101,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H101
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.406
chem comp atom.model cartn y: 131.098
chem comp atom.model cartn z: 151.803
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H101
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.467
chem comp atom.pdbx model cartn y ideal: -0.272
chem comp atom.pdbx model cartn z ideal: 1.032
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H111,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H111
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.048
chem comp atom.model cartn y: 129.260
chem comp atom.model cartn z: 150.458
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H111
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.975
chem comp atom.pdbx model cartn y ideal: 1.025
chem comp atom.pdbx model cartn z ideal: -1.281
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H112,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H112
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.603
chem comp atom.model cartn y: 129.459
chem comp atom.model cartn z: 149.580
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H112
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.883
chem comp atom.pdbx model cartn y ideal: 1.693
chem comp atom.pdbx model cartn z ideal: 0.366
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H141,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H141
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.695
chem comp atom.model cartn y: 131.598
chem comp atom.model cartn z: 146.480
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H141
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.312
chem comp atom.pdbx model cartn y ideal: -0.680
chem comp atom.pdbx model cartn z ideal: 1.522
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H142,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H142
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.194
chem comp atom.model cartn y: 130.651
chem comp atom.model cartn z: 146.756
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H142
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.405
chem comp atom.pdbx model cartn y ideal: -1.348
chem comp atom.pdbx model cartn z ideal: -0.125
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H152,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H152
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.450
chem comp atom.model cartn y: 128.756
chem comp atom.model cartn z: 145.471
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H152
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.754
chem comp atom.pdbx model cartn y ideal: 0.605
chem comp atom.pdbx model cartn z ideal: -0.842
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H151,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H151
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.511
chem comp atom.model cartn y: 130.086
chem comp atom.model cartn z: 144.896
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H151
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.661
chem comp atom.pdbx model cartn y ideal: 1.273
chem comp atom.pdbx model cartn z ideal: 0.805
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H161,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H161
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.376
chem comp atom.model cartn y: 131.309
chem comp atom.model cartn z: 144.217
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H161
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.804
chem comp atom.pdbx model cartn y ideal: -0.742
chem comp atom.pdbx model cartn z ideal: 1.688
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H162,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H162
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: 143.509
chem comp atom.model cartn y: 129.765
chem comp atom.model cartn z: 144.522
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H162
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.897
chem comp atom.pdbx model cartn y ideal: -1.411
chem comp atom.pdbx model cartn z ideal: 0.041
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H173,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H173
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.012
chem comp atom.model cartn y: 130.056
chem comp atom.model cartn z: 142.130
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H173
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.153
chem comp atom.pdbx model cartn y ideal: 1.211
chem comp atom.pdbx model cartn z ideal: 0.971
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H172,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H172
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.763
chem comp atom.model cartn y: 130.192
chem comp atom.model cartn z: 142.505
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H172
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 10.027
chem comp atom.pdbx model cartn y ideal: -0.312
chem comp atom.pdbx model cartn z ideal: 0.676
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.897
chem comp atom.model cartn y: 128.649
chem comp atom.model cartn z: 142.810
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.246
chem comp atom.pdbx model cartn y ideal: 0.543
chem comp atom.pdbx model cartn z ideal: -0.676
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H213,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H213
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.537
chem comp atom.model cartn y: 135.440
chem comp atom.model cartn z: 151.231
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H213
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.187
chem comp atom.pdbx model cartn y ideal: -3.244
chem comp atom.pdbx model cartn z ideal: -2.228
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H212,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H212
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: 147.601
chem comp atom.model cartn y: 134.996
chem comp atom.model cartn z: 149.853
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H212
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.041
chem comp atom.pdbx model cartn y ideal: -4.244
chem comp atom.pdbx model cartn z ideal: -0.763
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,6O9
type: chem comp atom
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 6O9
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.867
chem comp atom.model cartn y: 134.528
chem comp atom.model cartn z: 149.836
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: 6O9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.418
chem comp atom.pdbx model cartn y ideal: -3.572
chem comp atom.pdbx model cartn z ideal: -1.531
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C17,C16,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C16
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,C15,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C15
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,C14,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C14
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,C13,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C13
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O18,C13,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: O18
chem comp bond.atom id 2: C13
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C13,O12,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: O12
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O12,C11,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: O12
chem comp bond.atom id 2: C11
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,C10,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C10
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O19,C10,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: O19
chem comp bond.atom id 2: C10
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O19,C20,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: O19
chem comp bond.atom id 2: C20
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C20,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C20
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,C09,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C09
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,O22,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: O22
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C09,O08,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: O08
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O08,P05,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: O08
chem comp bond.atom id 2: P05
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

P05,O07,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: P05
chem comp bond.atom id 2: O07
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

P05,O04,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: P05
chem comp bond.atom id 2: O04
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

P05,O06,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: P05
chem comp bond.atom id 2: O06
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O04,C03,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: O04
chem comp bond.atom id 2: C03
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C03,C02,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: C02
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C02,N01,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: N01
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N01,H012,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: N01
chem comp bond.atom id 2: H012
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N01,H011,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: N01
chem comp bond.atom id 2: H011
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C02,H022,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: H022
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C02,H021,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: H021
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C03,H032,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: H032
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C03,H031,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: H031
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O06,H2,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: O06
chem comp bond.atom id 2: H2
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C09,H092,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: H092
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C09,H091,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: H091
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H101,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H101
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H111,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H111
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H112,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H112
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H141,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H141
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H142,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H142
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H152,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H152
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H151,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H151
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,H161,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H161
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,H162,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H162
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,H173,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H173
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,H172,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H172
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,H3,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H3
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,H213,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H213
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,H212,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H212
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,H4,6O9
type: chem comp bond
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/6O9/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H4
chem comp bond.comp id: 6O9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,6O9,2016-05-12
type: pdbx chem comp audit
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 6O9
pdbx chem comp audit.date: 2016-05-12
pdbx chem comp audit.processing site: RCSB

Initial release,6O9,2016-05-25
type: pdbx chem comp audit
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 6O9
pdbx chem comp audit.date: 2016-05-25
pdbx chem comp audit.processing site: RCSB

6O9,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 6O9
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: NCCOP(=O)(O)OCC(COC(CCCC)=O)OC(=O)C

6O9,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 6O9
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C12H24NO8P/c1-3-4-5-12(15)18-8-11(21-10(2)14)9-20-22(16,17)19-7-6-13/h11H,3-9,13H2,1-2H3,(H,16,17)/t11-/m0/s1

6O9,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 6O9
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: PLBNSCVUDWCBFD-NSHDSACASA-N

6O9,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 6O9
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(C)=O

6O9,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 6O9
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(C)=O

6O9,OpenEye OEToolkits,2.0.4,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 6O9
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.4
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)C

6O9,OpenEye OEToolkits,2.0.4,SMILES
type: pdbx chem comp descriptor
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 6O9
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.4
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C

6O9,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 6O9
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate

6O9,OpenEye OEToolkits,2.0.4,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 6O9
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.4
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: [(2~{S})-2-acetyloxy-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-propyl] pentanoate