SMP0000802
SMPDB
1.0
C23H38N7O17P3S
Acetyl-CoA
809.1258
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
lipoamide dehydrogenase
SMP0000807
SMPDB
PW002083
PathWhiz
lipoamide dehydrogenase
pyruvate dehydrogenase
5682
ChemSpider
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
CHEBI:1146900
ChEBI
NADH
439153
PubChem-compound
2.0
a [pyruvate dehydrogenase E2 protein] N6-lipoyl-L-lysine
a [pyruvate dehydrogenase E2 protein] N6-S-acetyldihydrolipoyl-L-lysine
a [pyruvate dehydrogenase E2 protein] N6-dihydrolipoyl-L-lysine
1.0
CO-A
BioCyc
NAD
72-89-9
CAS
Coenzyme A
C21H36N7O16P3S
Coenzyme A
767.11523
6816
PubChem-compound
P0A9P0
UniProt
Pyruvic acid
SubPathwayOutput
CHEBI:15846
ChEBI
C3H4O3
Pyruvic acid
88.016045
6557
ChemSpider
1.0
Escherichia coli
1038
PubChem-compound
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
1.0
388299
ChemSpider
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
HMDB0001487
HMDB
127-17-3
CAS
1.0
274
ChemSpider
Pyruvate dehydrogenase E1 component
CHEBI:16908
ChEBI
C16255
KEGG Compound
1.0
CHEBI:16526
ChEBI
Acetyl-CoA
SubPathwayInput
1.0
1010
ChemSpider
lipoamide dehydrogenase
SMILES
CC(=O)C(O)=O
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
a [pyruvate dehydrogenase E2 protein] N6-S-acetyldihydrolipoyl-L-lysine
a [pyruvate dehydrogenase E2 protein] N6-dihydrolipoyl-L-lysine
a [pyruvate dehydrogenase E2 protein] N6-lipoyl-L-lysine
Hydrogen Ion
PW000785
PathWhiz
392413
ChemSpider
1.0
CO2
Carbon dioxide
43.98983
5893
PubChem-compound
58-68-4
CAS
C00080
KEGG Compound
HMDB0001423
HMDB
1.0
Pyruvate Decarboxylation to Acetyl-CoA
124-38-9
CAS
PW000779
PathWhiz
CHEBI:32816
ChEBI
CHEBI:15378
ChEBI
SMILES
[H+]
PYRUVATE
BioCyc
2.0
C00004
KEGG Compound
C00003
KEGG Compound
1031
ChemSpider
280
PubChem-compound
C15973
KEGG Compound
C15972
KEGG Compound
1.0
Glycolysis and Pyruvate Dehydrogenase
SubPathway
444493
PubChem-compound
C21H28N7O14P2
NAD
664.11694
SubPathwayInteraction109943
SubPathway109943Reaction
SubPathwayReaction
TCA Cycle
SubPathway
C00011
KEGG Compound
SMILES
O=C=O
C00010
KEGG Compound
HMDB0000902
HMDB
Pyruvate dehydrogenase E1 component
ACETYL-COA
BioCyc
C21H29N7O14P2
NADH
665.12476
HMDB0001206
HMDB
NADH
BioCyc
562
TAXONOMY
P06959
UniProt
NAD
BioCyc
1060
PubChem-compound
H
Hydrogen Ion
1.007825
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
1.2.4.1
false
1.2.4.1
Hydrogen Ion + Pyruvic acid + a [pyruvate dehydrogenase E2 protein] N6-lipoyl-L-lysine → Carbon dioxide + a [pyruvate dehydrogenase E2 protein] N6-S-acetyldihydrolipoyl-L-lysine
LEFT_TO_RIGHT
ReactionCatalysis6044
ACTIVATION
Reaction6083
false
Coenzyme A + a [pyruvate dehydrogenase E2 protein] N6-S-acetyldihydrolipoyl-L-lysine → Acetyl-CoA + a [pyruvate dehydrogenase E2 protein] N6-dihydrolipoyl-L-lysine
LEFT_TO_RIGHT
HMDB0059597
HMDB
Reaction6084
false
NAD + a [pyruvate dehydrogenase E2 protein] N6-dihydrolipoyl-L-lysine → Hydrogen Ion + NADH + a [pyruvate dehydrogenase E2 protein] N6-lipoyl-L-lysine
LEFT_TO_RIGHT
Carbon dioxide
C00022
KEGG Compound
HMDB0001967
HMDB
53-84-9
CAS
CHEBI:15351
ChEBI
C00024
KEGG Compound
HMDB0000243
HMDB
SMP0002095
SMPDB
P0AFG8
UniProt
85-61-0
CAS
ReactionCatalysis6046
ACTIVATION
SubPathwayInteraction109942
SubPathway109942Reaction
SubPathwayReaction
ReactionCatalysis6045
ACTIVATION