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Basic information
- CAS
6244-99-1- Standard SMILES
CC#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- InChIKey
JVJMBGZQTGXPSX-CITAKDKDSA-N- Molecular formula
- C25H38N7O17P3S
- Average molar mass
- 833.6 g/mol
- Monoisotopic mass
- 833.12577365
Names & identifiers
- Preferred name
- 9-{5-O-[{[(4-{[3-({2-[(But-2-ynoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
- IUPAC
- 5'-O-[({[(3R)-4-{[3-({2-[(But-2-ynoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
- English name
- 2-butynoyl-coenzyme A
- Molecular formula
- C25H38N7O17P3S
- Molecular weight
- 833.59
Names & synonyms
S-2-butynoate-CoA2-butynoyl-coenzyme ACoenzyme A, S-2-butynoate (9CI)
Database identifiers
- CAS
6244-99-1- PubChem CID
- 165437
- DTXSID
DTXSID10978009
Properties
Physicochemical properties
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- pka
- 1.16 · 1.16±0.50(Predicted)
Chemistry & industry
Suppliers1 total
上海楷森生物科技有限公司17558870519 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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