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Universal:3hbzcoa

3-hydroxybenzoyl-CoA(4-)

Default Component
3hbzcoa:-4
  • 3-hydroxybenzoyl-CoA(4-)
  • Charge: -4
  • Formula: C28H36N7O18P3S
CHEBI:57342
  • 3-hydroxybenzoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: JTBCMZVWWNFUFR-TYHXJLICSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 883.608[0], 884.0[1]
  • SMILES: CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1[0,1]
  • Names: 3-hydroxybenzoyl-CoA[0,1], 3'-phosphonatoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) diphosphate][0], 3-hydroxybenzoyl-coenzyme A(4-)[0], 3-hydroxybenzoyl-CoA tetraanion[0], 3-Hydroxybenzoyl-CoA[1]
Data Sources: [0] CHEBI:57342 via ChEBI, [1] cpd03090 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57342 via ChEBI, [1] cpd03090 via ModelSEED
Alternative Component
3hbzcoa:0
  • 3-hydroxybenzoyl-CoA
  • Charge: 0
  • Formula: C28H40N7O18P3S
CHEBI:15484
  • 3-hydroxybenzoyl-CoA
  • Type: Small Molecule
  • InChiKey: JTBCMZVWWNFUFR-TYHXJLICSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 887.64086[0]
  • SMILES: CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1[0]
  • Names: 3-Hydroxybenzoyl-CoA[0], 3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate][0], 3-hydroxybenzoyl-coenzyme A[0], m-hydroxybenzoyl-CoA[0], m-hydroxybenzoyl-coenzyme A[0]
Data Sources: [0] CHEBI:15484 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15484 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism