BiGG Metabolite 3hhdcoa

(S)-3-hydroxypalmitoyl-CoA(4-)

Default Component

3hhdcoa:-4

CHEBI:62613

Molecular Mass||g/mol: 1017.911^[0], 1018.0^[1]
SMILES: CCCCCCCCCCCCC[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], CCCCCCCCCCCCC[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: (SS)-3-hydroxyhexadecanoyl-CoA(4-)^[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}^[0], (3S)-hydroxyhexadecanoyl-CoA^[0], (S)-3-Hydroxyhexadecanoyl-CoA^[1], (S)-3-hydroxyhexadecanoyl-CoA^[1], (S)-3-hydroxypalmitoyl-CoA^[1], 3S-hydroxyhexadecanoyl-AoA^[1]

Data Sources: [0] CHEBI:62613 via ChEBI, [1] cpd03113 via ModelSEED

Data Sources: [0] CHEBI:62613 via ChEBI, [1] cpd03113 via ModelSEED

Alternative Component

3hhdcoa:0

CHEBI:27402

Molecular Mass||g/mol: 1021.9436^[0]
SMILES: CCCCCCCCCCCCC[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-Hydroxyhexadecanoyl-CoA^[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}^[0], (S)-3-hydroxyhexadecanoyl-coenzyme A^[0], (S)-3-hydroxypalmitoyl-coenzyme A^[0]

Data Sources: [0] CHEBI:27402 via ChEBI

Data Sources: [0] CHEBI:27402 via ChEBI

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