(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
type: datablock
datablock name: RP4
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

RP4
type: chem comp
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
chem comp.id: RP4
chem comp.formula: C19 H18 O5 S
chem comp.formula weight: 358.408
chem comp.name: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2006-03-31
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2011-06-04
chem comp.pdbx processing site: EBI
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: RP4
chem comp.type: non-polymer

O3,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: O3
chem comp atom.comp id: RP4
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: 169.211
chem comp atom.model cartn y: 108.213
chem comp atom.model cartn z: -0.621
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O3
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.286
chem comp atom.pdbx model cartn y ideal: -3.017
chem comp atom.pdbx model cartn z ideal: 0.097
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C2,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 169.085
chem comp atom.model cartn y: 108.425
chem comp atom.model cartn z: 0.596
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.514
chem comp atom.pdbx model cartn y ideal: -2.309
chem comp atom.pdbx model cartn z ideal: -0.856
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O1,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: O1
chem comp atom.comp id: RP4
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.931
chem comp atom.model cartn y: 108.246
chem comp atom.model cartn z: 1.189
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O1
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.508
chem comp atom.pdbx model cartn y ideal: -2.828
chem comp atom.pdbx model cartn z ideal: -2.094
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C4,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 170.161
chem comp atom.model cartn y: 108.878
chem comp atom.model cartn z: 1.562
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.805
chem comp atom.pdbx model cartn y ideal: -0.844
chem comp atom.pdbx model cartn z ideal: -0.655
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O5,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: O5
chem comp atom.comp id: RP4
chem comp atom.alt atom id: O5
chem comp atom.charge: 0
chem comp atom.model cartn x: 169.973
chem comp atom.model cartn y: 108.055
chem comp atom.model cartn z: 2.740
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O5
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.773
chem comp atom.pdbx model cartn y ideal: -0.417
chem comp atom.pdbx model cartn z ideal: -1.615
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C12,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 171.589
chem comp atom.model cartn y: 108.611
chem comp atom.model cartn z: 1.085
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.359
chem comp atom.pdbx model cartn y ideal: -0.627
chem comp atom.pdbx model cartn z ideal: 0.755
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 172.608
chem comp atom.model cartn y: 109.214
chem comp atom.model cartn z: 2.037
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: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.405
chem comp atom.pdbx model cartn y ideal: 0.881
chem comp atom.pdbx model cartn z ideal: 1.032
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O11,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: O11
chem comp atom.comp id: RP4
chem comp atom.alt atom id: O11
chem comp atom.charge: 0
chem comp atom.model cartn x: 173.903
chem comp atom.model cartn y: 108.824
chem comp atom.model cartn z: 1.607
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O11
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.081
chem comp atom.pdbx model cartn y ideal: 1.122
chem comp atom.pdbx model cartn z ideal: 2.268
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C8,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 172.483
chem comp atom.model cartn y: 110.732
chem comp atom.model cartn z: 2.014
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.971
chem comp atom.pdbx model cartn y ideal: 1.408
chem comp atom.pdbx model cartn z ideal: 1.119
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O9,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: O9
chem comp atom.comp id: RP4
chem comp atom.alt atom id: O9
chem comp atom.charge: 0
chem comp atom.model cartn x: 172.940
chem comp atom.model cartn y: 111.208
chem comp atom.model cartn z: 3.277
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O9
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.985
chem comp atom.pdbx model cartn y ideal: 2.836
chem comp atom.pdbx model cartn z ideal: 1.136
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C7,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 171.077
chem comp atom.model cartn y: 111.229
chem comp atom.model cartn z: 1.853
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.174
chem comp atom.pdbx model cartn y ideal: 0.931
chem comp atom.pdbx model cartn z ideal: -0.062
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 170.024
chem comp atom.model cartn y: 110.370
chem comp atom.model cartn z: 1.826
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.540
chem comp atom.pdbx model cartn y ideal: -0.059
chem comp atom.pdbx model cartn z ideal: -0.840
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 170.889
chem comp atom.model cartn y: 112.720
chem comp atom.model cartn z: 1.768
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.095
chem comp atom.pdbx model cartn y ideal: 1.624
chem comp atom.pdbx model cartn z ideal: -0.368
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C25,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C25
chem comp atom.charge: 0
chem comp atom.model cartn x: 172.008
chem comp atom.model cartn y: 113.576
chem comp atom.model cartn z: 1.643
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.086
chem comp atom.pdbx model cartn y ideal: 2.965
chem comp atom.pdbx model cartn z ideal: -0.755
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C24,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C24
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C24
chem comp atom.charge: 0
chem comp atom.model cartn x: 171.868
chem comp atom.model cartn y: 114.977
chem comp atom.model cartn z: 1.580
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C24
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.272
chem comp atom.pdbx model cartn y ideal: 3.610
chem comp atom.pdbx model cartn z ideal: -1.040
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C23,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: 170.592
chem comp atom.model cartn y: 115.558
chem comp atom.model cartn z: 1.644
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.473
chem comp atom.pdbx model cartn y ideal: 2.933
chem comp atom.pdbx model cartn z ideal: -0.943
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 169.486
chem comp atom.model cartn y: 114.699
chem comp atom.model cartn z: 1.769
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.493
chem comp atom.pdbx model cartn y ideal: 1.597
chem comp atom.pdbx model cartn z ideal: -0.557
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: 169.621
chem comp atom.model cartn y: 113.296
chem comp atom.model cartn z: 1.844
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.306
chem comp atom.pdbx model cartn y ideal: 0.942
chem comp atom.pdbx model cartn z ideal: -0.264
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

S16,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: S16
chem comp atom.comp id: RP4
chem comp atom.alt atom id: S16
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.936
chem comp atom.model cartn y: 115.351
chem comp atom.model cartn z: 1.841
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: S16
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.027
chem comp atom.pdbx model cartn y ideal: 0.739
chem comp atom.pdbx model cartn z ideal: -0.434
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

C17,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.607
chem comp atom.model cartn y: 116.592
chem comp atom.model cartn z: 0.734
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.469
chem comp atom.pdbx model cartn y ideal: -0.791
chem comp atom.pdbx model cartn z ideal: 0.238
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C22,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.986
chem comp atom.model cartn y: 116.283
chem comp atom.model cartn z: -0.473
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.190
chem comp atom.pdbx model cartn y ideal: -1.861
chem comp atom.pdbx model cartn z ideal: -0.604
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.695
chem comp atom.model cartn y: 117.295
chem comp atom.model cartn z: -1.388
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.753
chem comp atom.pdbx model cartn y ideal: -3.059
chem comp atom.pdbx model cartn z ideal: -0.074
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.040
chem comp atom.model cartn y: 118.606
chem comp atom.model cartn z: -1.069
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.593
chem comp atom.pdbx model cartn y ideal: -3.194
chem comp atom.pdbx model cartn z ideal: 1.293
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.649
chem comp atom.model cartn y: 118.918
chem comp atom.model cartn z: 0.135
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.869
chem comp atom.pdbx model cartn y ideal: -2.131
chem comp atom.pdbx model cartn z ideal: 2.134
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: RP4
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.918
chem comp atom.model cartn y: 117.909
chem comp atom.model cartn z: 1.044
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.311
chem comp atom.pdbx model cartn y ideal: -0.933
chem comp atom.pdbx model cartn z ideal: 1.611
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H1,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.290
chem comp atom.model cartn y: 107.952
chem comp atom.model cartn z: 0.553
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.321
chem comp atom.pdbx model cartn y ideal: -3.768
chem comp atom.pdbx model cartn z ideal: -2.223
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 169.932
chem comp atom.model cartn y: 107.141
chem comp atom.model cartn z: 2.485
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.387
chem comp atom.pdbx model cartn y ideal: -0.571
chem comp atom.pdbx model cartn z ideal: -2.488
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H121,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H121
chem comp atom.comp id: RP4
chem comp atom.alt atom id: 1H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 171.719
chem comp atom.model cartn y: 109.074
chem comp atom.model cartn z: 0.096
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H121
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.709
chem comp atom.pdbx model cartn y ideal: -1.113
chem comp atom.pdbx model cartn z ideal: 1.483
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H122,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H122
chem comp atom.comp id: RP4
chem comp atom.alt atom id: 2H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 171.750
chem comp atom.model cartn y: 107.524
chem comp atom.model cartn z: 1.033
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H122
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.364
chem comp atom.pdbx model cartn y ideal: -1.042
chem comp atom.pdbx model cartn z ideal: 0.822
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 172.434
chem comp atom.model cartn y: 108.861
chem comp atom.model cartn z: 3.064
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.932
chem comp atom.pdbx model cartn y ideal: 1.386
chem comp atom.pdbx model cartn z ideal: 0.222
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 173.910
chem comp atom.model cartn y: 108.737
chem comp atom.model cartn z: 0.661
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.081
chem comp atom.pdbx model cartn y ideal: 2.079
chem comp atom.pdbx model cartn z ideal: 2.404
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 173.064
chem comp atom.model cartn y: 111.092
chem comp atom.model cartn z: 1.152
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.512
chem comp atom.pdbx model cartn y ideal: 1.039
chem comp atom.pdbx model cartn z ideal: 2.036
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 173.042
chem comp atom.model cartn y: 110.476
chem comp atom.model cartn z: 3.874
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.064
chem comp atom.pdbx model cartn y ideal: 3.124
chem comp atom.pdbx model cartn z ideal: 1.204
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 169.036
chem comp atom.model cartn y: 110.769
chem comp atom.model cartn z: 2.002
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.892
chem comp atom.pdbx model cartn y ideal: -0.325
chem comp atom.pdbx model cartn z ideal: -1.662
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H25,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H25
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: 172.997
chem comp atom.model cartn y: 113.144
chem comp atom.model cartn z: 1.595
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H25
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.851
chem comp atom.pdbx model cartn y ideal: 3.498
chem comp atom.pdbx model cartn z ideal: -0.833
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H24,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H24
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: 172.742
chem comp atom.model cartn y: 115.603
chem comp atom.model cartn z: 1.482
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H24
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.262
chem comp atom.pdbx model cartn y ideal: 4.647
chem comp atom.pdbx model cartn z ideal: -1.341
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H23,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H23
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: 170.464
chem comp atom.model cartn y: 116.629
chem comp atom.model cartn z: 1.599
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H23
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.398
chem comp atom.pdbx model cartn y ideal: 3.442
chem comp atom.pdbx model cartn z ideal: -1.167
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 168.747
chem comp atom.model cartn y: 112.672
chem comp atom.model cartn z: 1.960
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.320
chem comp atom.pdbx model cartn y ideal: -0.096
chem comp atom.pdbx model cartn z ideal: 0.036
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H22,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H22
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.729
chem comp atom.model cartn y: 115.259
chem comp atom.model cartn z: -0.701
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H22
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.315
chem comp atom.pdbx model cartn y ideal: -1.756
chem comp atom.pdbx model cartn z ideal: -1.672
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.211
chem comp atom.model cartn y: 117.066
chem comp atom.model cartn z: -2.326
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.536
chem comp atom.pdbx model cartn y ideal: -3.891
chem comp atom.pdbx model cartn z ideal: -0.727
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.828
chem comp atom.model cartn y: 119.395
chem comp atom.model cartn z: -1.775
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.251
chem comp atom.pdbx model cartn y ideal: -4.132
chem comp atom.pdbx model cartn z ideal: 1.706
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.912
chem comp atom.model cartn y: 119.940
chem comp atom.model cartn z: 0.363
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.741
chem comp atom.pdbx model cartn y ideal: -2.240
chem comp atom.pdbx model cartn z ideal: 3.201
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,RP4
type: chem comp atom
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: RP4
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: 168.370
chem comp atom.model cartn y: 118.147
chem comp atom.model cartn z: 1.995
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: RP4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.527
chem comp atom.pdbx model cartn y ideal: -0.103
chem comp atom.pdbx model cartn z ideal: 2.268
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

O3,C2,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: C2
chem comp bond.comp id: RP4
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: doub

C2,O1,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: O1
chem comp bond.comp id: RP4
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

C2,C4,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C4
chem comp bond.comp id: RP4
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

O1,H1,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: H1
chem comp bond.comp id: RP4
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

C4,O5,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O5
chem comp bond.comp id: RP4
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: sing

C4,C12,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C12
chem comp bond.comp id: RP4
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

C4,C6,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C6
chem comp bond.comp id: RP4
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

O5,H5,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: O5
chem comp bond.atom id 2: H5
chem comp bond.comp id: RP4
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

C12,C10,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C10
chem comp bond.comp id: RP4
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

C12,H121,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H121
chem comp bond.comp id: RP4
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

C12,H122,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H122
chem comp bond.comp id: RP4
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,O11,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: O11
chem comp bond.comp id: RP4
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

C10,C8,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C8
chem comp bond.comp id: RP4
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: sing

C10,H10,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H10
chem comp bond.comp id: RP4
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

O11,H11,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: O11
chem comp bond.atom id 2: H11
chem comp bond.comp id: RP4
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

C8,O9,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: O9
chem comp bond.comp id: RP4
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: sing

C8,C7,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C7
chem comp bond.comp id: RP4
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

C8,H8,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H8
chem comp bond.comp id: RP4
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

O9,H9,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: O9
chem comp bond.atom id 2: H9
chem comp bond.comp id: RP4
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

C7,C6,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C6
chem comp bond.comp id: RP4
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: doub

C7,C13,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C13
chem comp bond.comp id: RP4
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

C6,H6,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H6
chem comp bond.comp id: RP4
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

C13,C25,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C25
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C13,C14,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C14
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,C24,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C24
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,H25,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H25
chem comp bond.comp id: RP4
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

C24,C23,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C23
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C24,H24,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H24
chem comp bond.comp id: RP4
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

C23,C15,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C15
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,H23,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H23
chem comp bond.comp id: RP4
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

C15,C14,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C14
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C15,S16,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: S16
chem comp bond.comp id: RP4
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

C14,H14,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H14
chem comp bond.comp id: RP4
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

S16,C17,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: S16
chem comp bond.atom id 2: C17
chem comp bond.comp id: RP4
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

C17,C22,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C22
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C17,C18,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C18
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,C21,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C21
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,H22,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H22
chem comp bond.comp id: RP4
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

C21,C20,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C20
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C21,H21,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H21
chem comp bond.comp id: RP4
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

C20,C19,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C19
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,H20,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H20
chem comp bond.comp id: RP4
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

C19,C18,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C18
chem comp bond.comp id: RP4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C19,H19,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H19
chem comp bond.comp id: RP4
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

C18,H18,RP4
type: chem comp bond
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/RP4/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H18
chem comp bond.comp id: RP4
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,RP4,2006-03-31
type: pdbx chem comp audit
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: RP4
pdbx chem comp audit.date: 2006-03-31
pdbx chem comp audit.processing site: EBI

Modify descriptor,RP4,2011-06-04
type: pdbx chem comp audit
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify descriptor
pdbx chem comp audit.comp id: RP4
pdbx chem comp audit.date: 2011-06-04
pdbx chem comp audit.processing site: RCSB

RP4,ACDLabs,10.04,SMILES
type: pdbx chem comp descriptor
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: RP4
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 10.04
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: O=C(O)C3(O)C=C(c2cccc(Sc1ccccc1)c2)C(O)C(O)C3

RP4,CACTVS,3.341,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: RP4
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.341
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: O[C@@H]1C[C@@](O)(C=C([C@H]1O)c2cccc(Sc3ccccc3)c2)C(O)=O

RP4,CACTVS,3.341,SMILES
type: pdbx chem comp descriptor
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: RP4
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.341
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: O[CH]1C[C](O)(C=C([CH]1O)c2cccc(Sc3ccccc3)c2)C(O)=O

RP4,OpenEye OEToolkits,1.5.0,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: RP4
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.5.0
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O

RP4,OpenEye OEToolkits,1.5.0,SMILES
type: pdbx chem comp descriptor
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: RP4
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.5.0
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1ccc(cc1)Sc2cccc(c2)C3=CC(CC(C3O)O)(C(=O)O)O

RP4,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: RP4
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/C19H18O5S/c20-16-11-19(24,18(22)23)10-15(17(16)21)12-5-4-8-14(9-12)25-13-6-2-1-3-7-13/h1-10,16-17,20-21,24H,11H2,(H,22,23)/t16-,17-,19+/m1/s1

RP4,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: RP4
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: QMNMNSINKIFYBV-LMMKCTJWSA-N

RP4,ACDLabs,10.04,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: RP4
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 10.04
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylsulfanyl)phenyl]cyclohex-2-ene-1-carboxylic acid

RP4,OpenEye OEToolkits,1.5.0,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: RP4
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.5.0
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: (1R,4R,5R)-1,4,5-trihydroxy-3-(3-phenylsulfanylphenyl)cyclohex-2-ene-1-carboxylic acid