Chemical Compound

CID11051396

CID11051396 chemical structure
Primary Record

CID11051396

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
11051396
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)NCCS[C@@H]4CCCC[C@@H]4C(=O)CCCC5=CNC6=CC=CC=C65)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)NCCS[C@@H]1CCCC[C@@H]1C(=O)CCCc1c[nH]c2ccccc12

Names & Synonyms

  • CID11051396
  • CID 11051396
  • J1.578.680I
  • CID11051396; (Acyl-CoA); [M+H]+;
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(1R,2R)-2-[4-(1H-indol-3-yl)butanoyl]cyclohexyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[[(1R,2R)-2-[4-(1H-indole-3-yl)butyryl]cyclohexyl]thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester