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CHEBI:142528 - 5β-chola-3,8(14),11-trien-24-oic acid

ChEBI IDCHEBI:142528
ChEBI Name5β-chola-3,8(14),11-trien-24-oic acid
Stars
ASCII Name5beta-chola-3,8(14),11-trien-24-oic acid
DefinitionA C24-steroid that is cholanic acid which has been triply dehydrogenated to introduce double bonds at the 3-4, 8-14, and 11-12 positions.
Last Modified18 April 2024
DownloadsMolfile
FormulaC24H34O2
Net Charge0
Average Mass354.534
Monoisotopic Mass354.25588
SMILES[H][C@@]12C=CCC[C@]1(C)[C@@]1([H])C=C[C@@]3(C)C(=C1CC2)CC[C@]3([H])[C@H](C)CCC(=O)O
InChIInChI=1S/C24H34O2/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/h4,6,13,15-17,19,21H,5,7-12,14H2,1-3H3,(H,25,26)/t16-,17+,19-,21+,23+,24-/m1/s1
InChIKeySDCFNOCWBVAGES-LVARZUFQSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-chola-3,8(14),11-trien-24-oic acid (CHEBI:142528) is a 5β steroid (CHEBI:136889)
5β-chola-3,8(14),11-trien-24-oic acid (CHEBI:142528) is a C24-steroid (CHEBI:131620)
5β-chola-3,8(14),11-trien-24-oic acid (CHEBI:142528) is a steroid acid (CHEBI:47891)
IUPAC Name 
5β-chola-3,8(14),11-trien-24-oic acid
Synonyms  Source
(4R)-4-[(5R,9R,10S,13R,17R)-10,13-dimethyl-2,5,6,7,9,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidIUPAC
(5β)-Chola-3,8(14),11-trien-24-säureChEBI
Manual XrefsDatabases
LMST04010327LIPID MAPS
Registry NumbersSources
Reaxys:3166123Reaxys