Chemical Compound

Citryl-coenzyme A

Citryl-coenzyme A chemical structure
Primary Record

Citryl-coenzyme A

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
439266
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(C(=O)NCCC(=O)NCCSC(=O)CC(CC(=O)O)(C(=O)O)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(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)(CC(=O)O)C(=O)O

Names & Synonyms

  • Citryl-coenzyme A
  • AC1L970B
  • CID439266
  • J677.497K
  • Citryl-coenzyme A; (Acyl-CoA); [M+H]+;
  • 2-(2-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-2-oxoethyl)-2-hydroxybutanedioic acid
  • 2-[2-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxoethyl]-2-hydroxybutanedioic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-4-oxo-4-[[3-oxo-3-[[2-[[3,5-dihydroxy-3-(hydroxycarbonyl)-5-oxovaleryl]thio]ethyl]amino]propyl]amino]butyl]] ester