- butyryl-CoA(4-)
- Charge: -4
- Formula: C25H38N7O17P3S
- Compartment: c - cytosol
- Universal Metabolite: btcoa
CHEBI:57371
- butyryl-CoA(4-)
- Type: Small Molecule
- InChiKey: CRFNGMNYKDXRTN-CITAKDKDSA-J
- View on ChEBI
Properties
- Molecular Mass||g/mol: 833.592[0], 834.0[1]
- SMILES: CCCC(=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], CCCC(=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(O)C1OP(=O)([O-])[O-][1]
- Names: butanoyl-CoA[0,1], 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)[0], butanoyl-coenzyme A(4-)[0], butyryl-coenzyme A tetraanion[0], butyryl-coenzyme A(4-)[0], Butyryl-CoA[1], Butanoyl-CoA[1], Coenzyme A, S-butanoate[1], butyryl-CoA[1], butyryl-coenzyme A[1]
Linkouts
- CHEBI: 57371 [0]
- SEED Compound: cpd00120 [1]
- KEGG Compound: C00136 [1]
- MetaCyc Compound: BUTYRYL-COA [1]
- MetaNetX Chemical: MNXM233 [1]
MEMOTE Flags
This metabolite was flagged in the following MEMOTE tests:
This model contains 735 unconserved metabolites: ahcys_c, xmp_c, gam6p_c, agm_c, alaala_c, ...
The list of unconserved metabolites is computed using the algorithm described in section 3.2 of "Detection of Stoichiometric Inconsistencies in Biomolecular Models." Bioinformatics 24, no. 19 (2008): 2245. doi: 10.1093/bioinformatics/btn425.
Reactions involving btcoa_c in iCN900
| BiGG ID | Name | Reference | Transport | Collection-specific | Model | |
|---|---|---|---|---|---|---|
| BiGG ID | Name | Reference | Transport | Collection-specific | Model |