CHEBI:16015
ChEBI
4444155
ChemSpider
30572
ChemSpider
C23H38N7O17P3S
Acetyl-CoA
809.1258
CHEBI:15603
ChEBI
937
ChemSpider
C04236
KEGG Compound
NADH
5462261
PubChem-compound
SubPathwayControl110024
SubPathway110024Control
ActivatingSubPathwayControl
439153
PubChem-compound
SMILES
O
1.0
50
ChemSpider
1.0
PW002475
PathWhiz
C02504
KEGG Compound
5462259
PubChem-compound
PW002476
PathWhiz
NAD
1.0
6816
PubChem-compound
51
PubChem-compound
46
ChemSpider
Unknown
CHEBI:15846
ChEBI
49601-06-1
CAS
1.0
C02631
KEGG Compound
SMILES
CC(C)CC(=O)C(O)=O
1038
PubChem-compound
CHEBI:48430
ChEBI
274
ChemSpider
C5H6O5
Oxoglutaric acid
146.02153
C6H10O3
3-Methyl-2-oxovaleric acid
130.06299
CHEBI:16908
ChEBI
Acetyl-CoA
1010
ChemSpider
Saccharomyces cerevisiae
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS
69
ChemSpider
HMDB0000687
HMDB
70
PubChem-compound
Hydrogen Ion
HMDB0000208
HMDB
6106
PubChem-compound
C00233
KEGG Compound
5880
ChemSpider
58-68-4
CAS
HMDB0000695
HMDB
SMILES
CCC(C)C(=O)C(O)=O
HMDB0001423
HMDB
L-Glutamic acid
SMILES
OC(=O)CCC(=O)C(O)=O
124-38-9
CAS
CHEBI:30915
ChEBI
6.0
C00001
KEGG Compound
1460-34-0
CAS
C7H10O5
2-Isopropyl-3-oxosuccinate
174.05283
1.0
CHEBI:35128
ChEBI
LEU
BioCyc
C00004
KEGG Compound
CHEBI:17275
ChEBI
C00003
KEGG Compound
C00123
KEGG Compound
3-Isopropylmalate
C7H12O5
3-Isopropylmalate
176.06847
GLT
BioCyc
1.0
C21H28N7O14P2
NAD
664.11694
C00011
KEGG Compound
SMILES
O=C=O
C00010
KEGG Compound
HMDB0000902
HMDB
2-Isopropyl-3-oxosuccinate
Reaction6766
false
Isopropylmaleate + Water → 3-Isopropylmalate
LEFT_TO_RIGHT
1.1.1.85
false
1.1.1.85
3-Isopropylmalate + NAD → 2-Isopropyl-3-oxosuccinate + Hydrogen Ion + NADH
LEFT_TO_RIGHT
2.6.1.42
false
2.6.1.42
Ketoleucine + L-Glutamic acid → L-Leucine + Oxoglutaric acid
LEFT_TO_RIGHT
C21H29N7O14P2
NADH
665.12476
1.0
HMDB0001206
HMDB
SMILES
CC(C)C(=C\C(O)=O)\C(O)=O
47
PubChem-compound
2.3.3.13
false
2.3.3.13
3-Methyl-2-oxovaleric acid + Acetyl-CoA + Water → 2-Isopropylmalic acid + Coenzyme A + Hydrogen Ion
LEFT_TO_RIGHT
4.2.1.33
false
4.2.1.33
2-Isopropylmalic acid → Isopropylmaleate + Water
LEFT_TO_RIGHT
H
Hydrogen Ion
1.007825
4444164
ChemSpider
53-84-9
CAS
C00026
KEGG Compound
C00025
KEGG Compound
C00024
KEGG Compound
SMP0002375
SMPDB
SMP0002374
SMPDB
C6H10O3
Ketoleucine
130.06299
1.0
C7H12O5
2-Isopropylmalic acid
176.06847
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
5682
ChemSpider
5280523
PubChem-compound
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
328-50-7
CAS
CHEBI:1146900
ChEBI
Water
ReactionCatalysis6730
ACTIVATION
4575349
ChemSpider
HMDB0000491
HMDB
4575347
ChemSpider
ReactionCatalysis6733
ACTIVATION
ReactionCatalysis6732
ACTIVATION
ReactionCatalysis6731
ACTIVATION
CO-A
BioCyc
72-89-9
CAS
HMDB0012241
HMDB
Coenzyme A
C21H36N7O16P3S
Coenzyme A
767.11523
HMDB0000148
HMDB
6557
ChemSpider
SMILES
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
7732-18-5
CAS
CPD-9451
BioCyc
388299
ChemSpider
C04411
KEGG Compound
HMDB0001487
HMDB
Reaction2880
true
2-Isopropyl-3-oxosuccinate + Hydrogen Ion → Carbon dioxide + Ketoleucine
LEFT_TO_RIGHT
1.0
56-86-0
CAS
CHEBI:1467
ChEBI
1.0
C5H9NO4
L-Glutamic acid
147.05316
33032
PubChem-compound
HMDB0012149
HMDB
1.0
CHEBI:16526
ChEBI
2-Isopropylmalic acid
1.0
816-66-0
CAS
1.0
Ketoleucine
5280533
PubChem-compound
CHEBI:35932
ChEBI
L-Leucine
2K-4CH3-PENTANOATE
BioCyc
C6H13NO2
L-Leucine
131.09464
962
PubChem-compound
HMDB0012156
HMDB
2-KETOGLUTARATE
BioCyc
392413
ChemSpider
61-90-5
CAS
2-KETO-3-METHYL-VALERATE
BioCyc
Unknown
2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE
BioCyc
CO2
Carbon dioxide
43.98983
C03465
KEGG Compound
5893
PubChem-compound
2.0
C00080
KEGG Compound
C7H10O4
Isopropylmaleate
158.0579
Oxoglutaric acid
1.0
3-Methyl-2-oxovaleric acid
SubPathwayActivator
Leucine Biosynthesis
HMDB0002111
HMDB
SMILES
N[C@@H](CCC(O)=O)C(O)=O
Isoleucine Biosynthesis
ActivatingSubPathway
CHEBI:15377
ChEBI
CHEBI:15378
ChEBI
SMILES
[H+]
3-isopropylmalate dehydrogenase
CPD-7100
BioCyc
tyrosine aminotransferase
isopropylmalate isomerase
1.0
SMILES
CC(C)[C@@](O)(CC(O)=O)C(O)=O
280
PubChem-compound
SMILES
CC(C)C[C@H](N)C(O)=O
921-28-8
CAS
4932
TAXONOMY
444493
PubChem-compound
ACETYL-COA
BioCyc
H2O
Water
18.010565
Isopropylmaleate
branched-chain amino-acid aminotransferase
NADH
BioCyc
NAD
BioCyc
1.0
CHEBI:43468
ChEBI
HMDB0059597
HMDB
Carbon dioxide
HMDB0001967
HMDB
CHEBI:15351
ChEBI
SMILES
CC(C)[C@H](C(O)=O)C(=O)C(O)=O
ReactionCatalysis6727
ACTIVATION
SMILES
CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O
HMDB0000402
HMDB
ReactionCatalysis6729
ACTIVATION
ReactionCatalysis6728
ACTIVATION
85-61-0
CAS