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Universal:3oxdhscoa

3-oxo-5,6-dehydrosuberyl-CoA(5-)

Default Component
3oxdhscoa:-5
  • 3-oxo-5,6-dehydrosuberyl-CoA(5-)
  • Charge: -5
  • Formula: C29H39N7O20P3S
CHEBI:63255
  • 3-oxo-5,6-dehydrosuberyl-CoA(5-)
  • Type: Small Molecule
  • InChiKey: IFFFDKYRRUVOFP-NOQDIWQESA-I
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 930.641[0]
  • SMILES: [H]C(CC(=O)[O-])=C([H])CC(=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: 3-oxo-5,6-dehydrosuberyl-CoA pentaanion[0], 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-oxo-5,6-dehydro-7-carboxylatoheptanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}[0], 3-oxo-5,6-didehydrosuberyl-CoA[0]
Data Sources: [0] CHEBI:63255 via ChEBI
Linkouts
Data Sources: [0] CHEBI:63255 via ChEBI
Alternative Component
3oxdhscoa:0
  • 3-oxo-5,6-dehydrosuberyl-CoA
  • Charge: 0
  • Formula: C29H44N7O20P3S
CHEBI:63253
  • 3-oxo-5,6-dehydrosuberyl-CoA
  • Type: Small Molecule
  • InChiKey: IFFFDKYRRUVOFP-NOQDIWQESA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 935.681[0]
  • SMILES: [H]C(CC(=O)O)=C([H])CC(=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: 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-oxo-5,6-dehydro-7-carboxyheptanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0]
Data Sources: [0] CHEBI:63253 via ChEBI
Linkouts
Data Sources: [0] CHEBI:63253 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism