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CHEBI:173041 - 23-Methylcholesta-5,22E-dien-3beta-ol

ChEBI IDCHEBI:173041
ChEBI Name23-Methylcholesta-5,22E-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILESC/C(=C\C(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)CC(C)C
InChIInChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7,16,18,20,22-26,29H,8-15,17H2,1-6H3/b19-16+/t20?,22-,23?,24+,25?,26?,27-,28+/m0/s1
InChIKeyVWOZANDHAVNMEW-RBBBQODXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
23-Methylcholesta-5,22E-dien-3beta-ol (CHEBI:173041) has parent hydride gorgostane (CHEBI:24424)
23-Methylcholesta-5,22E-dien-3beta-ol (CHEBI:173041) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,10R,13R,17R)-17-[(E)-4,6-dimethylhept-3-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
LMST01060005LIPID MAPS
24823313ChemSpider