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Universal:bbtcoa

gamma-butyrobetainyl-CoA(3-)

Default Component
bbtcoa:-3
  • gamma-butyrobetainyl-CoA(3-)
  • Charge: -3
  • Formula: C28H46N8O17P3S
CHEBI:61513
  • gamma-butyrobetainyl-CoA(3-)
  • Type: Small Molecule
  • InChiKey: QAMRRBGWSPTAEJ-SVHODSNWSA-K
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 891.695[0], 892.0[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)CCC[N+](C)(C)C[0,1]
  • Names: gamma-butyrobetaine-CoA[0,1], gamma-butyrobetainyl-CoA trianion[0], 4-(trimethylamino)butanoyl-CoA[0], gamma-butyrobetainyl-CoA[1], 4-(trimethylammonio)butanoayl-CoA[1], 4-Trimethylammoniobutanoyl-CoA[1], gamma-Butyrobetainyl-CoA[1]
Data Sources: [0] CHEBI:61513 via ChEBI, [1] cpd15412 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:61513 via ChEBI, [1] cpd15412 via ModelSEED
Alternative Component
bbtcoa:1
  • gamma-butyrobetainyl-CoA
  • Charge: 1
  • Formula: C28H50N8O17P3S
CHEBI:61517
  • gamma-butyrobetainyl-CoA
  • Type: Small Molecule
  • InChiKey: QAMRRBGWSPTAEJ-SVHODSNWSA-O
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 895.726[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)CCC[N+](C)(C)C[0]
  • Names: 4-trimethylammoniobutanoyl-coenzyme A[0], gamma-butyrobetainyl-coenzyme A[0], 4-trimethylammoniobutanoyl-CoA[0]
Data Sources: [0] CHEBI:61517 via ChEBI
Linkouts
Data Sources: [0] CHEBI:61517 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism