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CHEBI:172653 - 4a-Formyl-5a-cholesta-8,24-dien-3b-ol

ChEBI IDCHEBI:172653
ChEBI Name4a-Formyl-5a-cholesta-8,24-dien-3b-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILESCC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C=O)C1CC3
InChIInChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3
InChIKeyZLQSSFNCEUGGJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
4a-Formyl-5a-cholesta-8,24-dien-3b-ol (CHEBI:172653) is a cholestanoid (CHEBI:50401)
IUPAC Name 
3-hydroxy-10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde
Manual XrefsDatabases
570845ChemSpider
HMDB0001203HMDB