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Universal:b2coa

crotonoyl-CoA(4-)

Default Component
b2coa:-4
  • crotonoyl-CoA(4-)
  • Charge: -4
  • Formula: C25H36N7O17P3S
CHEBI:57332
  • crotonoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: KFWWCMJSYSSPSK-PAXLJYGASA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 831.576[0], 832.0[1]
  • SMILES: C/C=C/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], C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(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-][1]
  • Names: (2E)-butenoyl-CoA[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-but-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}[0], (E)-but-2-enoyl-CoA(4-)[0], Crotonyl-CoA[1], (E)-But-2-enoyl-CoA[1], (E)-but-2-enoyl-CoA[1], 2-Butenoyl-CoA[1], 2-butenoyl-CoA[1], But-2-enoyl-CoA[1], Crotonoyl-CoA[1], M_Crotonyl_Coa[1], but-2-enoyl-CoA[1], crotonoyl-CoA[1], crotonyl-CoA[1], crotonyl-S-CoA[1], crotonyl-coenzyme A[1], trans-But-2-enoyl-CoA[1], trans-but-2-enoyl-CoA[1], trans-butyr-2-enoyl-CoA[1]
Data Sources: [0] CHEBI:57332 via ChEBI, [1] cpd00650 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57332 via ChEBI, [1] cpd00650 via ModelSEED
Alternative Component
b2coa:0
  • crotonoyl-CoA
  • Charge: 0
  • Formula: C25H40N7O17P3S
CHEBI:15473
  • crotonoyl-CoA
  • Type: Small Molecule
  • InChiKey: KFWWCMJSYSSPSK-PAXLJYGASA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 835.60936[0]
  • SMILES: C/C=C/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: Crotonoyl-CoA[0], Crotonyl-CoA[0], trans-But-2-enoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-but-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], trans-butyr-2-enoyl-CoA[0], (E)-but-2-enoyl-CoA[0]
Data Sources: [0] CHEBI:15473 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15473 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism