loading...| Preferred Name | lithocholate | |
| Synonyms |
3alpha-hydroxy-5beta-cholan-24-oate lithocholate |
|
| Definitions |
A bile acid anion that is the conjugate base of lithocholic acid. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_29744 |
|
| alternative term |
3alpha-hydroxy-5beta-cholan-24-oate lithocholate |
|
| bearer of | ||
| charge |
-1 |
|
| database_cross_reference |
Reaxys:8241304 |
|
| definition |
A bile acid anion that is the conjugate base of lithocholic acid. |
|
| formula |
C24H39O3 |
|
| has_alternative_id |
CHEBI:20237 CHEBI:25066 CHEBI:11905 |
|
| has_exact_synonym |
3alpha-hydroxy-5beta-cholan-24-oate lithocholate |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:29744 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 |
|
| inchikey |
SMEROWZSTRWXGI-HVATVPOCSA-M |
|
| is_conjugate_base_of | ||
| label |
lithocholate |
|
| mass |
375.56466 |
|
| monoisotopicmass |
375.29047 |
|
| notation |
CHEBI:29744 |
|
| prefLabel |
lithocholate |
|
| RO_0000087 | ||
| smiles |
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@H](O)C2 |
|
| subClassOf |