CHEBI:179984 - (22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid
ChEBI ID CHEBI:179984
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H34O3
Net Charge 0
Average Mass 370.533
Monoisotopic Mass 370.25079
InChI InChI=1S/C24H34O3/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/h4-5,7,9,15,17-18,20-21,25H,6,8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,17+,18+,20+,21+,23+,24-/m1/s1
InChIKey CZPJWQWXLQPNCL-BZGKHHHISA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=CC4)[C@H](C)/C=C/C(O)=O)C)[H])(CC2)[H])[H])(CC1)C
ChEBI Ontology
Outgoing (22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid (CHEBI:179984) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
IUPAC Name
(E,4R)-4-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoic acid
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4447176 ChemSpider
LMST04010341 LIPID MAPS
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Last Modified
17 January 2023