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Universal:3hddcoa

(S)-3-hydroxylauroyl-CoA(4-)

Default Component
3hddcoa:-4
  • (S)-3-hydroxylauroyl-CoA(4-)
  • Charge: -4
  • Formula: C33H54N7O18P3S
CHEBI:62558
  • (S)-3-hydroxylauroyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: IJFLXRCJWPKGKJ-LXIXEQKWSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 961.804[0], 962.0[1]
  • SMILES: CCCCCCCCC[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: (S)-3-Hydroxydodecanoyl-CoA (4-)[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}[0], (S)-3-hydroxydodecanoyl-CoA(4-)[0], (3S)-3-hydroxydodecanoyl-CoA[0], (S)-3-Hydroxydodecanoyl-CoA[1], (S)-3-hydroxydodecanoyl-CoA[1]
Data Sources: [0] CHEBI:62558 via ChEBI, [1] cpd03116 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:62558 via ChEBI, [1] cpd03116 via ModelSEED
Alternative Component
3hddcoa:0
  • (S)-3-hydroxylauroyl-CoA
  • Charge: 0
  • Formula: C33H58N7O18P3S
CHEBI:27668
  • (S)-3-hydroxylauroyl-CoA
  • Type: Small Molecule
  • InChiKey: IJFLXRCJWPKGKJ-LXIXEQKWSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 965.83728[0]
  • SMILES: CCCCCCCCC[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-Hydroxydodecanoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], (S)-3-hydroxydodecanoyl-coenzyme A[0], (S)-3-hydroxylauroyl-coenzyme A[0]
Data Sources: [0] CHEBI:27668 via ChEBI
Linkouts
Data Sources: [0] CHEBI:27668 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism