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Universal:23dhacoa

2,3-didehydroadipoyl-CoA(5-)

Default Component
23dhacoa:-5
  • 2,3-didehydroadipoyl-CoA(5-)
  • Charge: -5
  • Formula: C27H37N7O19P3S
CHEBI:71044
  • 2,3-didehydroadipoyl-CoA(5-)
  • Type: Small Molecule
  • InChiKey: ZFXICKRXPZTFPB-BIEWRJSYSA-I
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 888.604[0]
  • SMILES: [H]C(CCC(=O)[O-])=C([H])C(=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: 2,3-didehydroadipoyl-CoA[0], 2,3-didehydroadipoyl-coenzyme A(5-)[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxylatopent-4-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}[0]
Data Sources: [0] CHEBI:71044 via ChEBI
Linkouts
Data Sources: [0] CHEBI:71044 via ChEBI
Alternative Component
23dhacoa:0
  • 2,3-didehydroadipoyl-CoA
  • Charge: 0
  • Formula: C27H42N7O19P3S
CHEBI:71163
  • 2,3-didehydroadipoyl-CoA
  • Type: Small Molecule
  • InChiKey: ZFXICKRXPZTFPB-BIEWRJSYSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 893.644[0]
  • SMILES: [H]C(CCC(=O)O)=C([H])C(=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: 2,3-didehydroadipoyl-coenzyme A[0], 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxypent-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0]
Data Sources: [0] CHEBI:71163 via ChEBI
Linkouts
Data Sources: [0] CHEBI:71163 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism