BiGG Metabolite 3hodcoa

(3S)-3-hydroxyoctadecanoyl-CoA(4-)

Default Component

3hodcoa:-4

CHEBI:87561

Molecular Mass||g/mol: 1045.966^[0], 1046.0^[1,2], 1049.0^[3]
SMILES: CCCCCCCCCCCCCCC[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-]^[0,2], CCCCCCCCCCCCCCCC(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-]^[1], CCCCCCCCCCCCCCC[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-]^[3]
Names: (3S)-hydroxyoctadecanoyl-CoA^[0], (3S)-3-hydroxystearoyl-CoA(4-)^[0], (3S)-3-hydroxystearoyl-coenzyme A(4-)^[0], (3S)-3-hydroxyoctadecanoyl-coenzyme A(4-)^[0], 3-Hydroxystearoyl-CoA^[1], 3-Hydroxyoctadecanoyl-CoA^[1], beta-Hydroxystearoyl-CoA^[1], (S)-3-Hydroxyoctadecanoyl-CoA^[2], (S)-3-hydroxy-stearoyl-CoA^[2], (3R)-3-hydroxy-stearoyl-CoA^[3], (3R)-3-hydroxyoctadecanoyl-CoA^[3], (3R)-3-hydroxystearoyl-CoA^[3], beta-hydroxystearoyl-CoA^[3]

Data Sources: [0] CHEBI:87561 via ChEBI, [1] cpd14936 via ModelSEED, [2] cpd15204 via ModelSEED, [3] cpd22621 via ModelSEED

Data Sources: [0] CHEBI:87561 via ChEBI, [1] cpd14936 via ModelSEED, [2] cpd15204 via ModelSEED, [3] cpd22621 via ModelSEED

Alternative Component

3hodcoa:0

CHEBI:50577

Molecular Mass||g/mol: 1049.99676^[0]
SMILES: CCCCCCCCCCCCCCC[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)-3-hydroxystearoyl-CoA^[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}^[0]

Data Sources: [0] CHEBI:50577 via ChEBI

Data Sources: [0] CHEBI:50577 via ChEBI

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