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CHEBI:171990 - Cholestane-3,7,12,25-tetrol

ChEBI IDCHEBI:171990
ChEBI NameCholestane-3,7,12,25-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O4
Net Charge0
Average Mass436.677
Monoisotopic Mass436.35526
SMILESCC(CCCC(C)(C)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
InChIInChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3
InChIKeyNTIXPPFPXLYJCT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Cholestane-3,7,12,25-tetrol (CHEBI:171990) is a cholestanoid (CHEBI:50401)
IUPAC Name 
17-(6-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Manual XrefsDatabases
2722972ChemSpider