Primary Record
Etomoxir-coa
- In stock
- 4,065 g
- Purity
- 99.5 %
- CAS
- 124122-91-4
Compound Identifiers & Properties
- CAS
- 124122-91-4
- PubChem CID
- 3081714
- 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)C4(CO4)CCCCCCOC5=CC=C(C=C5)Cl)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)NCCSC(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1
Names & Synonyms
- Etomoxir-coa
- Etomoxiryl-coa
- Etomoxiryl-coenzyme A
- Coenzyme A, etomoxiryl-
- AC1MIXEX
- RefChem:921337
- C36H53ClN7O19P3S
- DTXSID101347971
- SCHEMBL30646868
- SCHEMBL30646875
- DTXCID301776716
- CID3081714
- C36-H53-Cl-N7-O19-P3-S
- Etomoxiryl-CoA; (Acyl-CoA); [M+H]+;
- J426.154B
- 124122-91-4
- Coenzyme A, S-(2-(6-(4-chlorophenoxy)hexyl)oxiranecarboxylate)
- S-[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]ethyl] 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carbothioate
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carbonylsulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
- Adenosine 5 -[diphosphoric acid P2-[(R)-4-[[2-[[2-[[[2-[6-(4-chlorophenoxy)hexyl]oxirane-2-yl]carbonyl]thio]ethyl]carbamoyl]ethyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl]]3 -phosphoric acid