Primary Record
3-hydroxybutyryl-CoA
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 440045
- SMILES
- C[C@H](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)O
- Canonical SMILES
- C[C@@H](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
- 3-hydroxybutyryl-CoA
- AC1L98KD
- 3-Hydroxybutyryl-coenzyme A
- (R)-3-Hydroxybutanoyl-CoA
- (3R)-3-Hydroxybutanoyl-CoA
- SCHEMBL20524193
- SCHEMBL22411229
- CID440045
- J2.742.980G
- 3-Hydroxybutyryl-coenzyme A; (Acyl-CoA); [M+H]+;
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 3 -O-Phosphonoadenosine 5 -diphosphoric acid 5 -[2,2-dimethyl-3-hydroxy-3-[2-[[2-[(R)-3-hydroxybutyrylthio]ethyl]carbamoyl]ethylcarbamoyl]propyl] ester
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(3R)-3-hydroxybutanoyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(3R)-3-hydroxybutyryl]thio]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] (3R)-3-hydroxybutanethioate