loading...| Preferred Name |
5beta-cholanic acid |
| Synonyms |
(5beta,17beta)-gamma-methylandrostane-17-butanoic acid (5beta)-cholan-24-oic acid 5beta-cholan-24-oic acid 5beta-cholanoic acid 5beta-cholanic acid ursocholanic acid |
| ID |
http://purl.obolibrary.org/obo/CHEBI_36238 |
| charge |
0 |
| database_cross_reference |
Beilstein:3214794 LIPID_MAPS_instance:LMST04010441 CAS:546-18-9 |
| formula |
C24H40O2 |
| has exact synonym |
5beta-cholan-24-oic acid 5beta-cholanic acid |
| has related synonym |
(5beta,17beta)-gamma-methylandrostane-17-butanoic acid (5beta)-cholan-24-oic acid 5beta-cholanoic acid ursocholanic acid |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:36238 |
| in_subset | |
| inchi |
InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1 |
| inchikey |
RPKLZQLYODPWTM-LVVAJZGHSA-N |
| label |
5beta-cholanic acid |
| mass |
360.57320 |
| monoisotopicmass |
360.30283 |
| notation |
CHEBI:36238 |
| prefLabel |
5beta-cholanic acid |
| smiles |
[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC(O)=O |
| subClassOf |