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CHEBI:171686 - 7 alpha,24-Dihydroxy-4-cholesten-3-one

ChEBI IDCHEBI:171686
ChEBI Name7 alpha,24-Dihydroxy-4-cholesten-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILESCC(C)C(O)CC[C@@H](C)C1CCC2C3C(O)CC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20?,21?,22?,23?,24?,25?,26+,27-/m1/s1
InChIKeyLFFHZNXDGBQZCO-DCMQQWDXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
7 alpha,24-Dihydroxy-4-cholesten-3-one (CHEBI:171686) is a cholanoid (CHEBI:36078)
IUPAC Name 
(7R,10R,13R)-7-hydroxy-17-[(2R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
HMDB0012457HMDB
C17331KEGG COMPOUND