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

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ChEBI Name 5β-chola-3,8(14),11-trien-24-oic acid ChEBI ID CHEBI:142528 ChEBI ASCII Name 5beta-chola-3,8(14),11-trien-24-oic acid Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Monica Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H34O2 Net Charge 0 Average Mass 354.526 Monoisotopic Mass 354.25588 InChI InChI=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 InChIKey SDCFNOCWBVAGES-LVARZUFQSA-N SMILES C1[C@@]2([C@]3(C=C[C@]4(C(=C3CC[C@@]2(C=CC1)[H])CC[C@@]4([C@H](C)CCC(O)=O)[H])C)[H])C ChEBI Ontology Outgoing 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 Sources (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 acid IUPAC (5β)-Chola-3,8(14),11-trien-24-säure ChEBI Manual Xref Database LMST04010327 LIPID MAPS View more database links Registry Number Type Source 3166123 Reaxys Registry Number Reaxys Last Modified 18 April 2024