SMILES
[H][C@]1(O)C(=CC=C[C@]1([H])OC(=C)C([O-])=O)C([O-])=O
1.0
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
Water
1.0
P15047
UniProt
439153
PubChem-compound
2-Pyrocatechuic acid
SMILES
O
1.0
1.0
isochorismate
1.0
Chorismate Biosynthesis
SubPathway
NAD
C10H10O6
Chorismate
226.04774
2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase
5.4.4.2
false
5.4.4.2
Chorismate → isochorismate
LEFT_TO_RIGHT
Reaction2453
false
Water + isochorismate → (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + Pyruvic acid
LEFT_TO_RIGHT
SubPathwayInteraction77589
SubPathway77589Reaction
SubPathwayReaction
1.0
Pyruvic acid
SMP0000774
SMPDB
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
ReactionCatalysis2392
ACTIVATION
ReactionCatalysis2391
ACTIVATION
Escherichia coli
1038
PubChem-compound
388299
ChemSpider
Isochorismatase
7732-18-5
CAS
1.0
1.0
Chorismate
SubPathwayOutput
952
ChemSpider
HMDB0001487
HMDB
Blue copper oxidase cueO
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
ReactionCatalysis2394
ACTIVATION
SMILES
OC1C=CC=C(C1O)C(O)=O
CHEBI:16908
ChEBI
SMP0000836
SMPDB
Isochorismate synthase entC
P0AEJ2
UniProt
1.0
CHEBI:18026
ChEBI
CHEBI:17333
ChEBI
1010
ChemSpider
7782-44-7
CAS
HMDB0001377
HMDB
SMILES
CC(=O)C(O)=O
Reaction5866
false
2-Pyrocatechuic acid + Oxygen → 2-Carboxymuconate + Hydrogen Ion
LEFT_TO_RIGHT
2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase
8.0
CHEBI:29780
ChEBI
ReactionCatalysis5832
ACTIVATION
962
PubChem-compound
CPD-9517
BioCyc
2-Carboxymuconate
Hydrogen Ion
C00196
KEGG Compound
CPD-6641
BioCyc
P0ADI4
UniProt
5893
PubChem-compound
58-68-4
CAS
18
ChemSpider
C00080
KEGG Compound
SMILES
O=O
Oxygen
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
HMDB0002111
HMDB
CHEBI:32816
ChEBI
PW000816
PathWhiz
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
2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase
1.0
C04171
KEGG Compound
Isochorismatase
P36649
UniProt
C21H28N7O14P2
NAD
664.11694
HMDB0000902
HMDB
C00251
KEGG Compound
C21H29N7O14P2
NADH
665.12476
H2O
Water
18.010565
Isochorismate synthase entC
C7H6O4
2-Pyrocatechuic acid
154.02661
NADH
BioCyc
2,3-Dihydroxybenzoate Biosynthesis
562
TAXONOMY
NAD
BioCyc
1060
PubChem-compound
H
Hydrogen Ion
1.007825
977
PubChem-compound
HMDB0059597
HMDB
C7H3O6
2-Carboxymuconate
182.99297
PW000751
PathWhiz
C00022
KEGG Compound
53-84-9
CAS
Blue copper oxidase cueO
12039
PubChem-compound
HMDB0000243
HMDB
25200400
PubChem-compound
303-38-8
CAS