Primary Record
ketohexanoyl-CoA
- In stock
- 7,926 g
- Purity
- 98.6 %
- CAS
- 19774-86-8
Compound Identifiers & Properties
- CAS
- 19774-86-8
- PubChem CID
- 440610
- SMILES
- 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
- Canonical SMILES
- 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
- ketohexanoyl-CoA
- 3-Oxohexanoyl-CoA
- 3-ketohexanoyl-CoA
- 3-ketohexanoyl CoA.
- Ketohexanoyl-Coenzyme A
- 3-oxohexanoyl-coenzyme A
- AC1L99MR
- 3-ketohexanoyl Coenzyme A.
- SCHEMBL27966667
- DTXSID50941550
- CID440610
- 3-Oxohexanoyl-CoA; (Acyl-CoA); [M+H]+;
- J2.755.105J
- C05269
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxohexanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 19774-86-8
- 5'-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-oxohexanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
- 9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-oxohexanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
- S-[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]ethyl] 3-oxohexanethioate