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Universal:crnDcoa

(S)-carnitinyl-CoA(3-)

Default Component
crnDcoa:-3
  • (S)-carnitinyl-CoA(3-)
  • Charge: -3
  • Formula: C28H46N8O18P3S
CHEBI:62047
  • (S)-carnitinyl-CoA(3-)
  • Type: Small Molecule
  • InChiKey: BBRISSLDTUHWKG-ZORKKWTOSA-K
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 907.694[0], 908.0[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@H](O)C[N+](C)(C)C[0,1]
  • Names: D-carnitinyl-CoA(3-)[0], (S)-carnitinyl-CoA[0], D-carnitinyl-CoA[1]
Data Sources: [0] CHEBI:62047 via ChEBI, [1] cpd15439 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:62047 via ChEBI, [1] cpd15439 via ModelSEED
Alternative Component
crnDcoa:0
  • (S)-carnitinyl-CoA betaine
  • Charge: 0
  • Formula: C28H49N8O18P3S
CHEBI:62194
  • (S)-carnitinyl-CoA betaine
  • Type: Small Molecule
  • InChiKey: BBRISSLDTUHWKG-ZORKKWTOSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 910.718[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@H](O)C[N+](C)(C)C[0]
  • Names: D-carnitinyl-CoA betaine[0], D-carnitinyl-CoA inner salt[0], (S)-carnitinyl-CoA inner salt[0]
Data Sources: [0] CHEBI:62194 via ChEBI
Linkouts
Data Sources: [0] CHEBI:62194 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism