Chemical Compound

(3S)-Citryl-CoA

(3S)-Citryl-CoA chemical structure
Primary Record

(3S)-Citryl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101471738
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)C[C@@](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)C[C@@](O)(CC(=O)O)C(=O)O

Names & Synonyms

  • (3S)-Citryl-CoA
  • J2.729.701C
  • (2S)-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
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(3S)-3,4-dicarboxy-3-hydroxybutyryl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester