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Universal:3hbcoa

(S)-3-hydroxybutanoyl-CoA(4-)

Default Component
3hbcoa:-4
  • (S)-3-hydroxybutanoyl-CoA(4-)
  • Charge: -4
  • Formula: C25H38N7O18P3S
CHEBI:57316
  • (S)-3-hydroxybutanoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: QHHKKMYHDBRONY-VKBDFPRVSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 849.592[0], 850.0[1]
  • SMILES: C[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: (3S)-3-hydroxybutanoyl-CoA[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}[0], (S)-3-Hydroxybutyryl-CoA[1], (S)-3-Hydroxybutanoyl-CoA[1], (S)-3-hydroxybutanoyl-CoA[1], L-3-hydroxybutyryl-CoA[1]
Data Sources: [0] CHEBI:57316 via ChEBI, [1] cpd00842 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57316 via ChEBI, [1] cpd00842 via ModelSEED
Alternative Component
3hbcoa:0
  • (S)-3-hydroxybutanoyl-CoA
  • Charge: 0
  • Formula: C25H42N7O18P3S
CHEBI:15453
  • (S)-3-hydroxybutanoyl-CoA
  • Type: Small Molecule
  • InChiKey: QHHKKMYHDBRONY-VKBDFPRVSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 853.62464[0]
  • SMILES: C[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-Hydroxybutanoyl-CoA[0], (S)-3-Hydroxybutyryl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], (3S)-3-hydroxybutanoyl-CoA[0], (S)-3-hydroxybutyroyl-CoA[0], L(+)-3-hydroxybutyroyl-CoA[0], L(+)-beta-hydroxybutyroyl-CoA[0], L-3-hydroxybutanoyl-CoA[0]
Data Sources: [0] CHEBI:15453 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15453 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism