Chemical Compound

D-carnitinyl-CoA betaine

D-carnitinyl-CoA betaine chemical structure
Primary Record

D-carnitinyl-CoA betaine

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
52921576
SMILES
CC(C)(COP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@H](C[N+](C)(C)C)O)O
Canonical 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

Names & Synonyms

  • D-carnitinyl-CoA betaine
  • (S)-carnitinyl-CoA betaine
  • D-carnitinyl-CoA inner salt
  • (S)-carnitinyl-CoA inner salt
  • RefChem:70469
  • CHEBI:62194
  • LMFA07050162
  • 3S-hydroxy-5-trimethylammonio-pentanoyl-CoA
  • Q27131675
  • (((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((3R)-3-hydroxy-4-((3-(2-((3S)-3-hydroxy-4-(trimethylazaniumyl)butanoyl)sulfanylethylamino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl) phosphate
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[(3S)-3-hydroxy-4-(trimethylazaniumyl)butanoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] phosphate