Universal:forcoa
formyl-CoA(4-)
Default Component
forcoa:-4
- formyl-CoA(4-)
- Charge: -4
- Formula: C22H32N7O17P3S
CHEBI:57376
- formyl-CoA(4-)
- Type: Small Molecule
- InChiKey: SXMOKYXNAPLNCW-GORZOVPNSA-J
- View on ChEBI
Properties
- Molecular Mass||g/mol: 791.512[0], 792.0[1]
- SMILES: [H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-][0], CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC=O[1]
- Names: formyl-CoA[0,1], 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(formylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)[0], Formyl-CoA[1]
Linkouts
- CHEBI: 57376 [0]
- SEED Compound: cpd00592 [1]
- KEGG Compound: C00798 [1]
- MetaCyc Compound: FORMYL-COA [1]
- MetaNetX Chemical: MNXM563 [1]
Alternative Component
forcoa:0
- formyl-CoA
- Charge: 0
- Formula: C22H36N7O17P3S
CHEBI:15522
- formyl-CoA
- Type: Small Molecule
- InChiKey: SXMOKYXNAPLNCW-GORZOVPNSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 795.5455[0]
- SMILES: [H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O[0]
- Names: Formyl-CoA[0], 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(formylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)[0], formyl-coenzyme A[0]
Linkouts
- CHEBI: 15522 [0]
- KEGG Compound: C00798 [0]
- HMDB: HMDB0003419 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |