3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
type: datablock
datablock name: HJP
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

HJP
type: chem comp
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
chem comp.id: HJP
chem comp.formula: C7 H6 O5
chem comp.formula weight: 170.120
chem comp.name: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
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: 2018-07-08
chem comp.pdbx model coordinates db code: 6DZQ
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2018-11-02
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: HJP
chem comp.type: non-polymer

OAF,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: OAF
chem comp atom.comp id: HJP
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.399
chem comp atom.model cartn y: 15.756
chem comp atom.model cartn z: 14.820
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAF
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.778
chem comp atom.pdbx model cartn y ideal: -0.580
chem comp atom.pdbx model cartn z ideal: 0.003
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

CAE,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: CAE
chem comp atom.comp id: HJP
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.209
chem comp atom.model cartn y: 16.448
chem comp atom.model cartn z: 15.490
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAE
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.051
chem comp atom.pdbx model cartn y ideal: 0.394
chem comp atom.pdbx model cartn z ideal: 0.002
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OAJ,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: OAJ
chem comp atom.comp id: HJP
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.040
chem comp atom.model cartn y: 16.528
chem comp atom.model cartn z: 16.717
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAJ
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.583
chem comp atom.pdbx model cartn y ideal: 1.632
chem comp atom.pdbx model cartn z ideal: -0.004
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

CAD,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: CAD
chem comp atom.comp id: HJP
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.264
chem comp atom.model cartn y: 17.199
chem comp atom.model cartn z: 14.964
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAD
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.588
chem comp atom.pdbx model cartn y ideal: 0.221
chem comp atom.pdbx model cartn z ideal: 0.002
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OAC,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: OAC
chem comp atom.comp id: HJP
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.942
chem comp atom.model cartn y: 17.916
chem comp atom.model cartn z: 15.927
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAC
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.212
chem comp atom.pdbx model cartn y ideal: 1.302
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

CAB,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: CAB
chem comp atom.comp id: HJP
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.013
chem comp atom.model cartn y: 18.668
chem comp atom.model cartn z: 15.546
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAB
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.544
chem comp atom.pdbx model cartn y ideal: 1.214
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAA,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: CAA
chem comp atom.comp id: HJP
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.691
chem comp atom.model cartn y: 19.325
chem comp atom.model cartn z: 16.617
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAA
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.361
chem comp atom.pdbx model cartn y ideal: 2.480
chem comp atom.pdbx model cartn z ideal: -0.001
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAG,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: CAG
chem comp atom.comp id: HJP
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.427
chem comp atom.model cartn y: 18.778
chem comp atom.model cartn z: 14.210
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAG
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.180
chem comp atom.pdbx model cartn y ideal: 0.023
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAH,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: CAH
chem comp atom.comp id: HJP
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -20.768
chem comp atom.model cartn y: 18.076
chem comp atom.model cartn z: 13.204
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAH
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.415
chem comp atom.pdbx model cartn y ideal: -1.168
chem comp atom.pdbx model cartn z ideal: 0.002
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OAK,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: OAK
chem comp atom.comp id: HJP
chem comp atom.alt atom id: O4
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.141
chem comp atom.model cartn y: 18.178
chem comp atom.model cartn z: 12.009
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAK
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.951
chem comp atom.pdbx model cartn y ideal: -2.264
chem comp atom.pdbx model cartn z ideal: -0.002
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

CAI,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: CAI
chem comp atom.comp id: HJP
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.645
chem comp atom.model cartn y: 17.323
chem comp atom.model cartn z: 13.613
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAI
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.054
chem comp atom.pdbx model cartn y ideal: -1.036
chem comp atom.pdbx model cartn z ideal: -0.002
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OAL,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: OAL
chem comp atom.comp id: HJP
chem comp atom.alt atom id: O5
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.993
chem comp atom.model cartn y: 16.574
chem comp atom.model cartn z: 12.693
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAL
chem comp atom.pdbx component comp id: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.852
chem comp atom.pdbx model cartn y ideal: -2.132
chem comp atom.pdbx model cartn z ideal: -0.002
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

H1,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: HJP
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.277
chem comp atom.model cartn y: 16.020
chem comp atom.model cartn z: 16.966
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: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.548
chem comp atom.pdbx model cartn y ideal: 1.695
chem comp atom.pdbx model cartn z ideal: -0.008
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: HJP
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.195
chem comp atom.model cartn y: 19.084
chem comp atom.model cartn z: 17.569
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: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.695
chem comp atom.pdbx model cartn y ideal: 3.343
chem comp atom.pdbx model cartn z ideal: -0.001
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: HJP
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.664
chem comp atom.model cartn y: 20.413
chem comp atom.model cartn z: 16.455
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: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.989
chem comp atom.pdbx model cartn y ideal: 2.506
chem comp atom.pdbx model cartn z ideal: -0.891
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: HJP
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: -22.737
chem comp atom.model cartn y: 18.985
chem comp atom.model cartn z: 16.652
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: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.990
chem comp atom.pdbx model cartn y ideal: 2.508
chem comp atom.pdbx model cartn z ideal: 0.889
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: HJP
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: -22.264
chem comp atom.model cartn y: 19.413
chem comp atom.model cartn z: 13.960
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: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.260
chem comp atom.pdbx model cartn y ideal: -0.021
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,HJP
type: chem comp atom
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: HJP
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.391
chem comp atom.model cartn y: 16.702
chem comp atom.model cartn z: 11.840
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: HJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.370
chem comp atom.pdbx model cartn y ideal: -2.970
chem comp atom.pdbx model cartn z ideal: 0.002
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

OAK,CAH,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: OAK
chem comp bond.atom id 2: CAH
chem comp bond.comp id: HJP
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

OAL,CAI,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: OAL
chem comp bond.atom id 2: CAI
chem comp bond.comp id: HJP
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

CAH,CAI,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAH
chem comp bond.atom id 2: CAI
chem comp bond.comp id: HJP
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

CAH,CAG,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAH
chem comp bond.atom id 2: CAG
chem comp bond.comp id: HJP
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

CAI,CAD,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAI
chem comp bond.atom id 2: CAD
chem comp bond.comp id: HJP
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

CAG,CAB,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAG
chem comp bond.atom id 2: CAB
chem comp bond.comp id: HJP
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: doub

OAF,CAE,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: OAF
chem comp bond.atom id 2: CAE
chem comp bond.comp id: HJP
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: doub

CAD,CAE,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: CAE
chem comp bond.comp id: HJP
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

CAD,OAC,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: OAC
chem comp bond.comp id: HJP
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

CAE,OAJ,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAE
chem comp bond.atom id 2: OAJ
chem comp bond.comp id: HJP
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

CAB,OAC,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: OAC
chem comp bond.comp id: HJP
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

CAB,CAA,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: CAA
chem comp bond.comp id: HJP
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

OAJ,H1,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: OAJ
chem comp bond.atom id 2: H1
chem comp bond.comp id: HJP
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

CAA,H2,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: H2
chem comp bond.comp id: HJP
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

CAA,H3,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: H3
chem comp bond.comp id: HJP
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

CAA,H4,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: H4
chem comp bond.comp id: HJP
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

CAG,H5,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: CAG
chem comp bond.atom id 2: H5
chem comp bond.comp id: HJP
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

OAL,H6,HJP
type: chem comp bond
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJP/chem_comp_atom/,
chem comp bond.atom id 1: OAL
chem comp bond.atom id 2: H6
chem comp bond.comp id: HJP
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

Create component,HJP,2018-07-08
type: pdbx chem comp audit
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: HJP
pdbx chem comp audit.date: 2018-07-08
pdbx chem comp audit.processing site: RCSB

Initial release,HJP,2018-11-07
type: pdbx chem comp audit
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: HJP
pdbx chem comp audit.date: 2018-11-07
pdbx chem comp audit.processing site: RCSB

HJP,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJP
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: O=C(O)C=1OC(C)=CC(C=1O)=O

HJP,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJP
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/C7H6O5/c1-3-2-4(8)5(9)6(12-3)7(10)11/h2,9H,1H3,(H,10,11)

HJP,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJP
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: IYJIUCSTNIURLO-UHFFFAOYSA-N

HJP,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJP
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: CC1=CC(=O)C(=C(O1)C(O)=O)O

HJP,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJP
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: CC1=CC(=O)C(=C(O1)C(O)=O)O

HJP,OpenEye OEToolkits,2.0.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJP
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CC1=CC(=O)C(=C(O1)C(=O)O)O

HJP,OpenEye OEToolkits,2.0.6,SMILES
type: pdbx chem comp descriptor
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJP
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CC1=CC(=O)C(=C(O1)C(=O)O)O

HJP,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: HJP
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: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid

HJP,OpenEye OEToolkits,2.0.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: HJP
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.6
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 6-methyl-3-oxidanyl-4-oxidanylidene-pyran-2-carboxylic acid