SMILES
[H][C@]1(O)C(=CC=C[C@]1([H])OC(=C)C([O-])=O)C([O-])=O
2,3-Dihydroxybenzoate Biosynthesis
1.0
Unknown
937
ChemSpider
SMILES
NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
1.0
5682
ChemSpider
HMDB0012199
HMDB
SMILES
NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
SMILES
OC(=O)C1=C(O)C(O)=CC=C1
NADH
8.0
Water
1.0
439153
PubChem-compound
2-Pyrocatechuic acid
SMILES
O
Reaction183289
false
2-Pyrocatechuic acid + Oxygen → 2-Carboxymuconate + Hydrogen Ion
LEFT_TO_RIGHT
1.0
1.0
isochorismate
1.0
Chorismate Biosynthesis
SubPathway
NAD
C10H10O6
Chorismate
226.04774
PW122554
PathWhiz
1.0
Pyruvic acid
CHEBI:15846
ChEBI
C3H4O3
Pyruvic acid
88.016045
11542
ChemSpider
C10H8O6
isochorismate
224.03319
CHEBI:15941
ChEBI
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate
1038
PubChem-compound
388299
ChemSpider
7732-18-5
CAS
1.0
1.0
Chorismate
SubPathwayOutput
952
ChemSpider
HMDB0001487
HMDB
HMDB0000397
HMDB
617-12-9
CAS
SMILES
O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O
O2
Oxygen
31.98983
127-17-3
CAS
SMILES
OC1C=CC=C(C1O)C(O)=O
CHEBI:16908
ChEBI
SMP0000836
SMPDB
1.0
CHEBI:18026
ChEBI
CHEBI:17333
ChEBI
1010
ChemSpider
7782-44-7
CAS
HMDB0001377
HMDB
5.4.4.2
false
5.4.4.2
Chorismate → isochorismate
LEFT_TO_RIGHT
SMILES
CC(=O)C(O)=O
1.3.1.28
false
1.3.1.28
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + NAD → 2-Pyrocatechuic acid + Hydrogen Ion + NADH
LEFT_TO_RIGHT
SubPathwayInteraction111260
SubPathwayReaction
SubPathway111260Reaction
Reaction183291
false
Water + isochorismate → (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + Pyruvic acid
LEFT_TO_RIGHT
CHEBI:29780
ChEBI
962
PubChem-compound
CPD-9517
BioCyc
2-Carboxymuconate
Hydrogen Ion
C00196
KEGG Compound
CPD-6641
BioCyc
5893
PubChem-compound
58-68-4
CAS
18
ChemSpider
C00080
KEGG Compound
SMILES
O=O
Oxygen
Pseudomonas aeruginosa
HMDB0002111
HMDB
CHEBI:32816
ChEBI
PW000816
PathWhiz
Unknown
C7H8O4
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate
156.04225
CHEBI:15377
ChEBI
19
PubChem-compound
C00007
KEGG Compound
CHEBI:15379
ChEBI
CHEBI:15378
ChEBI
SMILES
[H+]
PYRUVATE
BioCyc
SMILES
[O-]C(=O)C=CC=C(C([O-])=O)C([O-])=O
C00001
KEGG Compound
C00885
KEGG Compound
C00004
KEGG Compound
C00003
KEGG Compound
1031
ChemSpider
1.0
C04171
KEGG Compound
ReactionCatalysis173087
ACTIVATION
ReactionCatalysis173086
ACTIVATION
ReactionCatalysis173085
ACTIVATION
ReactionCatalysis173084
ACTIVATION
C21H28N7O14P2
NAD
664.11694
HMDB0000902
HMDB
C00251
KEGG Compound
C21H29N7O14P2
NADH
665.12476
H2O
Water
18.010565
SMP0121259
SMPDB
C7H6O4
2-Pyrocatechuic acid
154.02661
NADH
BioCyc
287
TAXONOMY
NAD
BioCyc
1060
PubChem-compound
H
Hydrogen Ion
1.007825
977
PubChem-compound
HMDB0059597
HMDB
C7H3O6
2-Carboxymuconate
182.99297
C00022
KEGG Compound
53-84-9
CAS
12039
PubChem-compound
2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase
HMDB0000243
HMDB
25200400
PubChem-compound
303-38-8
CAS