Primary Record
3-Oxohexanoyl-CoA
- In stock
- 7,926 g
- Purity
- 98.6 %
- CAS
- 19774-86-8
Compound Identifiers & Properties
- CAS
- 19774-86-8
- PubChem CID
- 3082152
- SMILES
- CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](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@H](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
- 3-Oxohexanoyl-CoA
- 3-ketohexanoyl-CoA
- 3-Ketohexanoyl-coenzyme A
- 3-oxohexanoyl-coenzyme A
- Coenzyme A, S-(3-oxohexanoate)
- 3-oxo-hexanoyl-CoA
- Coenzyme A, 3-ketohexanoyl-
- ketohexanoyl-coenzyme-A
- AC1MIY9P
- RefChem:918903
- 3-Oxohexanoyl coenzyme A
- beta-Ketohexanoyl coenzyme A
- CHEBI:27648
- SCHEMBL380683
- 19774-86-8
- SCHEMBL29509989
- CTK4E2270
- C27H44N7O18P3S
- LMFA07050242
- 3-Ketohexanoyl Coenzyme A, Free acid
- CID3082152
- C27-H44-N7-O18-P3-S
- C05269
- Coenzyme A,S-(3-oxohexanoate) (8CI,9CI)
- 3-ketohexanoyl-CoA; (Acyl-CoA); [M+H]+;
- J3.299.985I
- Q27103240
- S-[2-[3-[[(2R)-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
- adenosine 3'-phosphoric acid 5'-[diphosphoric acid P(2)-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
- (((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
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-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
- 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-((3-oxohexanoyl)sulfanyl)ethyl)amino)propyl)amino)butyl) dihydrogen diphosphate)
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-4-[[3-[[2-[(3-oxohexanoyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester
- adenosine 3'-phosphoric acid 5'-(diphosphoric acid P(2)-(2,2-dimethyl-3-hydroxy-3-((2-((2-(3-oxohexanoylthio)ethyl)aminocarbonyl)ethyl)aminocarbonyl)propyl)) ester
- S-(2-(3-(((2R)-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