Primary Record
Benzoylecgonine-CoA; (Acyl-CoA); [M+H]+;
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 155489389
- SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)[C@@H]4[C@H]5CC[C@H](N5C)C[C@@H]4OC(=O)C6=CC=CC=C6)O
- Canonical SMILES
- CN1[C@H]2CC[C@@H]1[C@@H](C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1OP(=O)(O)O)[C@@H](OC(=O)c1ccccc1)C2
Names & Synonyms
- Benzoylecgonine-CoA; (Acyl-CoA); [M+H]+;