Chemical Compound
3-(methylthio)propanoyl-CoA
CAS Registry Number
123052-13-1
Primary Record
3-(methylthio)propanoyl-CoA
- In stock
- 8,155 g
- Purity
- 98.1 %
- CAS
- 123052-13-1
Compound Identifiers & Properties
- CAS
- 123052-13-1
- PubChem CID
- 54758648
- SMILES
- CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O
- Canonical SMILES
- CSCCC(=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-(methylthio)propanoyl-CoA
- methylthioacryloyl-CoA
- RefChem:92686
- CHEBI:83579
- orb3022191
- 3-(methylthio)propanoyl-coenzyme A
- 3-(methylsulfanyl)propanoyl-CoA
- SCHEMBL30970942
- 3-Methylmercaptopropionate-Coa (Mmpa-Coa)
- S-[3-(Methylthio)propionyl]coenzyme A
- J2.934.220B
- C20870
- Q27156968
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[3-(methylsulfanyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
- {[(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-(methylsulfanyl)propanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 123052-13-1
- 1GZ
- 1HE
- 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-((3-((2-((3-(methylsulfanyl)propanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-4-oxobutyl) dihydrogen diphosphate)
- S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-(methylsulfanyl)propanethioate (non-preferred name)