BiGG Metabolite btcoa

butyryl-CoA(4-)

Default Component

btcoa:-4

CHEBI:57371

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]

Data Sources: [0] CHEBI:57371 via ChEBI, [1] cpd00120 via ModelSEED

Data Sources: [0] CHEBI:57371 via ChEBI, [1] cpd00120 via ModelSEED

Alternative Component

btcoa:0

CHEBI:15517

Molecular Mass||g/mol: 837.62524^[0]
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]
Names: Butanoyl-CoA^[0], butanoyl-coenzyme A^[0], 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)^[0], Butyryl-coenzyme A^[0], Butyryl-coa^[0], Coenzyme A, S-butanoate^[0], Butyryl-CoA^[0], butanoyl-CoA^[0], S-butyryl-CoA^[0], S-butyryl-coenzyme A^[0], S-butanoyl-coenzyme A^[0], S-Butyryl-coenzym-A^[0], S-butanoyl-CoA^[0], C4:0-CoA^[0], 4:0-CoA^[0]

Data Sources: [0] CHEBI:15517 via ChEBI

Data Sources: [0] CHEBI:15517 via ChEBI

	BiGG ID	Compartment	Charge	Model	Organism
	BiGG ID	Compartment	Charge	Model	Organism