JSON

5beta-cholanic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_36238

Synonyms: 5beta-cholan-24-oic acid 5beta-cholanic acid

This is just here as a test because I lose it

Term information

database cross reference
  • Beilstein:3214794 (Beilstein)
  • LIPID_MAPS_instance:LMST04010441 (LIPID MAPS)
  • CAS:546-18-9 (ChemIDplus)
Subsets

3_STAR

charge

0

formula

C24H40O2

hasOBONamespace

chebi_ontology

has related synonym

(5beta)-cholan-24-oic acid

ursocholanic acid

(5beta,17beta)-gamma-methylandrostane-17-butanoic acid

5beta-cholanoic acid

id

CHEBI:36238

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

mass

360.57320

monoisotopicmass

360.30283

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