Primary Record
RefChem:78311
- In stock
- 3,189 g
- Purity
- 98.3 %
- CAS
- 1931931-89-3
Compound Identifiers & Properties
- CAS
- 1931931-89-3
- PubChem CID
- 121596243
- SMILES
- C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5C=CC7=CC(=O)CC[C@]67C)O)C
- Canonical SMILES
- C[C@H](CCC(=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)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Names & Synonyms
- RefChem:78311
- CHEBI:134366
- orb3022335
- 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA
- C21470
- 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-coenzyme A
- 1931931-89-3