Basic information
- CAS
79250-89-8- Standard SMILES
CCCCCCCCCCCCCCCC(C)OCNC(=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.[Li+].[Li+].[Li+]- InChIKey
BJLZRPSDTGRCMT-LTZQTJBYSA-N- Molecular formula
- C37H68Li3N7O17P3+3
- Average molar mass
- 996.8 g/mol
- Monoisotopic mass
- 996.436465
Names & identifiers
- Preferred name
- Heptadecan-2-onyl-dethio-coenzyme A
- IUPAC
- trilithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(heptadecan-2-yloxymethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
- English name
- heptadecan-2-onyl-dethio-coenzyme A
- Molecular formula
- C37H68Li3N7O17P3+3
- Molecular weight
- 996.716803
Names & synonyms
Hdod-coaHeptadecanonyldethio coaHeptadecan-2-onyl-dethio-coaHeptadecan-2-onyl-dethio-coenzyme ACoenzyme A, heptadecan-2-onyl-dethio79250-89-8Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), 5'-(3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((4-oxononadecyl)amino)propyl)amino)butyl) ester, trilithium salt, (R)-RefChem:145616CID 129010936Heptadecanonyldethio-CoA
Database identifiers
- CAS
79250-89-8- PubChem CID
- 129010936
Properties
Computed structural properties
- Topological polar surface area
- 356 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 33
- Heavy atoms
- 67
- Formal charge
- 3
- Complexity
- 1,550
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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