BiGG Metabolite 3hdcoa

(S)-3-hydroxydecanoyl-CoA(4-)

Default Component

3hdcoa:-4

CHEBI:62616

Molecular Mass||g/mol: 933.751^[0], 934.0^[1]
SMILES: CCCCCCC[C@H](O)CC(=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-]^[0,1]
Names: 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}^[0], (3S)-hydroxydecanoyl-CoA^[0], (S)-Hydroxydecanoyl-CoA^[1], (S)-3-Hydroxydecanoyl-CoA^[1], (S)-3-hydroxydecanoyl-CoA^[1]

Data Sources: [0] CHEBI:62616 via ChEBI, [1] cpd03118 via ModelSEED

Data Sources: [0] CHEBI:62616 via ChEBI, [1] cpd03118 via ModelSEED

Alternative Component

3hdcoa:0

CHEBI:28325

Molecular Mass||g/mol: 937.78412^[0]
SMILES: CCCCCCC[C@H](O)CC(=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: (S)-Hydroxydecanoyl-CoA^[0], (S)-3-Hydroxydecanoyl-CoA^[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}^[0], 3-Hydroxydecanoyl-coenzyme A^[0], 3-OH 10:0-CoA^[0], 3-OH C10:0-CoA^[0], (S)-3-hydroxydecanoyl-coenzyme A^[0], coenzyme A S-3-hydroxydecanoate^[0], beta-hydroxydecanoyl-CoA^[0], beta-hydroxydecanoyl coenzyme A^[0], S-(3-hydroxydecanoyl)coenzyme A^[0]

Data Sources: [0] CHEBI:28325 via ChEBI

Data Sources: [0] CHEBI:28325 via ChEBI

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