Primary Record
Chenodeoxyglycocholoate
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 440685
- SMILES
- CC(CCC(=O)SCCNC(=O)CCNC(=O)C(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)C4CCC5[C@@]4(CCC6C5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C
- Canonical SMILES
- CC(CCC(=O)SCCNC(=O)CCNC(=O)C(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)C1CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
Names & Synonyms
- Chenodeoxyglycocholoate
- Chenodeoxyglycocholoyl-CoA
- Chenodeoxyglycocholoic acid
- Chenodeoxyglycocholoate-CoA
- AC1L99R9
- Chenodeoxyglycocholoyl-Coenzyme A
- Chenodeoxyglycocholoate-Coenzyme A
- Chenodeoxycholoyl-CoA; (Acyl-CoA); [M+H]+;
- S-[2-[3-[[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] 4-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanethioate