Chemical Compound
Ethylmalonyl coenzyme A
CAS Registry Number
6049-57-6
Primary Record
Ethylmalonyl coenzyme A
- In stock
- 7,817 g
- Purity
- 98.5 %
- CAS
- 6049-57-6
Compound Identifiers & Properties
- CAS
- 6049-57-6
- PubChem CID
- 16757550
- SMILES
- CCC(C(=O)O)C(=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
- CCC(C(=O)O)C(=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
- Ethylmalonyl coenzyme A
- ethylmalonyl-CoA
- S-(hydrogen2-ethylpropanedioate)coenzymeA
- SCHEMBL24456
- 6049-57-6
- orb3022245
- SCHEMBL29550834
- C26H42N7O19P3S
- DTXSID901346858
- Ethylmalonyl Coenzyme A (sodium salt)
- J3.439.840B
- PubChem CID: 16757550; (Acyl-CoA); [M+H]+;
- 2-[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]ethylsulfanylcarbonyl]butanoic acid
- 2-(((2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl)thio)carbonyl)butanoic acid
- 2-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]butanoic acid
- 2-{[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]carbonyl}butanoic acid
- Adenosine 5 -[diphosphoric acid beta-[(R)-4-[[2-[[2-(2-carboxybutyrylthio)ethyl]carbamoyl]ethyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl]]3 -phosphoric acid
- N/A