BiGG Metabolite 3hocoa

(S)-3-hydroxyoctanoyl-CoA(4-)

Default Component

3hocoa:-4

CHEBI:62617

Molecular Mass||g/mol: 905.698^[0], 906.0^[1]
SMILES: CCCCC[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], CCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(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-]^[1]
Names: (S)-3-hydroxycapryloyl-CoA(4-)^[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}^[0], (3S)-hydroxyoctanoyl-CoA^[0], (S)-Hydroxyoctanoyl-CoA^[1], (S)-3-Hydroxycapryloyl-CoA^[1], (S)-3-Hydroxyoctanoyl-CoA^[1], (S)-3-hydroxyoctanoyl-CoA^[1]

Data Sources: [0] CHEBI:62617 via ChEBI, [1] cpd03120 via ModelSEED

Data Sources: [0] CHEBI:62617 via ChEBI, [1] cpd03120 via ModelSEED

Alternative Component

3hocoa:0

CHEBI:28632

Molecular Mass||g/mol: 909.73096^[0], 0.0^[1]
SMILES: CCCCC[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)-Hydroxyoctanoyl-CoA^[0], (S)-3-Hydroxyoctanoyl-CoA^[0], (S)-3-Hydroxycapryloyl-CoA^[0,1], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}^[0], (S)-3-hydroxyoctanoyl-coenzyme A^[0], (S)-3-hydroxycapryloyl-coenzyme A^[0], ^[1]

Data Sources: [0] CHEBI:28632 via ChEBI, [1] cpd12690 via ModelSEED

Data Sources: [0] CHEBI:28632 via ChEBI, [1] cpd12690 via ModelSEED

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