CHEBI:173031 - 24Z-ethylidene-cholest-5-en-3beta,22S-diol

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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 24Z-ethylidene-cholest-5-en-3beta,22S-diol
ChEBI ID CHEBI:173031
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H48O2
Net Charge 0
Average Mass 428.701
Monoisotopic Mass 428.36543
InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h7-8,18-19,22-27,30-31H,9-17H2,1-6H3/b20-7-/t19-,22-,23-,24+,25-,26-,27-,28-,29+/m0/s1
InChIKey IYBGBNAVLWUPQU-YFTYSLQTSA-N
SMILES O[C@H]([C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(CC1)[H])C)[H])C)C/C(/C(C)C)=C/C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 24Z-ethylidene-cholest-5-en-3beta,22S-diol (CHEBI:173031) has parent hydride stigmastane (CHEBI:26773)
24Z-ethylidene-cholest-5-en-3beta,22S-diol (CHEBI:173031) is a steroid (CHEBI:35341)
IUPAC Name
(3S,8S,9S,10R,13S,14S,17R)-17-[(Z,2S,3S)-3-hydroxy-5-propan-2-ylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
58837741 ChemSpider
LMST01040196 LIPID MAPS
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