Chemical Compound
NITROMETHYLDETHIA COENZYME A
CAS Registry Number
157825-89-3
Primary Record
NITROMETHYLDETHIA COENZYME A
- In stock
- 5,965 g
- Purity
- 99.6 %
- CAS
- 157825-89-3
Compound Identifiers & Properties
- CAS
- 157825-89-3
- PubChem CID
- 5289039
- 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)NCCC[N+](=O)[O-])O
- Canonical SMILES
- CC(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)[C@@H](O)C(=O)NCCC(=O)NCCC[N+](=O)[O-]
Names & Synonyms
- NITROMETHYLDETHIA COENZYME A
- AC1NRCK7
- RefChem:854357
- SCHEMBL29941242
- DTXSID001099422
- CID5289039
- DB04230
- NS00073165
- NMX
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-[[3-(3-nitropropylamino)-3-oxopropyl]amino]-4-oxobutyl] hydrogen phosphate
- 157825-89-3
- (((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((3R)-3-hydroxy-2,2-dimethyl-4-((3-(3-nitropropylamino)-3-oxopropyl)amino)-4-oxobutyl) hydrogen phosphate
- [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-({3-[(3-nitropropyl)amino]-3-oxopropyl}amino)-4-oxobutyl dihydrogen diphosphate (non-preferred name)
- Adenosine 5a(2)-(trihydrogen diphosphate), 3a(2)-(dihydrogen phosphate), Pa(2)-[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[(3-nitropropyl)amino]-3-oxopropyl]amino]-4-oxobutyl] ester