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Universal:ctbtcoa

(E)-4-(trimethylammonio)but-2-enoyl-CoA(3-)

Default Component
ctbtcoa:-3
  • (E)-4-(trimethylammonio)but-2-enoyl-CoA(3-)
  • Charge: -3
  • Formula: C28H44N8O17P3S
CHEBI:60933
  • (E)-4-(trimethylammonio)but-2-enoyl-CoA(3-)
  • Type: Small Molecule
  • InChiKey: WAUPBDVHJXXZGW-HXPULJKESA-K
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 889.679[0], 890.0[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)/C=C/C[N+](C)(C)C[0,1]
  • Names: crotonobetainyl-CoA[0,1], crotonobetainyl-CoA trianion[0], crotonobetainyl-coenzyme A(3-)[0], crotonobetainyl-coenzyme A trianion[0], (E)-4-(trimethylammonio)but-2-enoyl-CoA trianion[0], crotonobetainyl-CoA(3-)[0], (E)-4-(Trimethylammonio)but-2-enoyl-CoA[1], (E)-4-(trimethylammonio)but-2-enoyl-CoA[1], Crotonobetainyl-CoA[1]
Data Sources: [0] CHEBI:60933 via ChEBI, [1] cpd15441 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:60933 via ChEBI, [1] cpd15441 via ModelSEED
Alternative Component
ctbtcoa:1
  • (E)-4-(trimethylammonio)but-2-enoyl-CoA
  • Charge: 1
  • Formula: C28H48N8O17P3S
CHEBI:61123
  • (E)-4-(trimethylammonio)but-2-enoyl-CoA
  • Type: Small Molecule
  • InChiKey: WAUPBDVHJXXZGW-HXPULJKESA-O
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 893.71[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)/C=C/C[N+](C)(C)C[0]
  • Names: crotonobetainyl-coenzyme A[0], (E)-4-(trimethylammonio)but-2-enoyl-coenzyme A[0], crotonobetainyl-CoA[0]
Data Sources: [0] CHEBI:61123 via ChEBI
Linkouts
Data Sources: [0] CHEBI:61123 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism