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

Default Structure
ChEBI IDCHEBI:173031
ChEBI Name24Z-ethylidene-cholest-5-en-3beta,22S-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@@H](O)C/C(=C/C)C(C)C
InChIInChI=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
InChIKeyIYBGBNAVLWUPQU-YFTYSLQTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
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