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CHEBI:172999 - 5alpha-ergosta-5,22Z-dien-3beta-ol

ChEBI IDCHEBI:172999
ChEBI Name5alpha-ergosta-5,22Z-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)/C=C\[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7-/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1
InChIKeyQOXPZVASXWSKKU-WGBKMOTLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
5alpha-ergosta-5,22Z-dien-3beta-ol (CHEBI:172999) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,9R,10S,13R,14R,17R)-17-[(Z,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01031024LIPID MAPS
20120093ChemSpider