Chemical Compound

7-Methyl-3-oxo-6-octenoyl-CoA

7-Methyl-3-oxo-6-octenoyl-CoA chemical structure
Primary Record

7-Methyl-3-oxo-6-octenoyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
23724757
SMILES
CC(=CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(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)O)C
Canonical SMILES
CC(C)=CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(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

Names & Synonyms

  • 7-Methyl-3-oxo-6-octenoyl-CoA
  • J2.802.632C
  • 7-Methyl-3-oxo-6-octenoyl-CoA; (Acyl-CoA); [M+H]+;
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(7-methyl-3-oxooct-6-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[(7-methyl-1,3-dioxo-6-octenyl)thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester