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CHEBI:172134 - 27-Norcholestanehexol

ChEBI IDCHEBI:172134
ChEBI Name27-Norcholestanehexol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H46O6
Net Charge0
Average Mass454.648
Monoisotopic Mass454.32944
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(O)C(O)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C26H46O6/c1-14(4-7-20(29)22(31)13-27)17-5-6-18-24-19(12-23(32)26(17,18)3)25(2)9-8-16(28)10-15(25)11-21(24)30/h14-24,27-32H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20?,21-,22?,23+,24+,25+,26-/m1/s1
InChIKeyPYLPANOYZCSFOX-UCIVWCSPSA-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)
27-Norcholestanehexol (CHEBI:172134) is a steroid (CHEBI:35341)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,6,7-trihydroxyheptan-2-yl]-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
170096ChemSpider
LMST04020029LIPID MAPS
HMDB0002157HMDB
Registry NumbersSources
CAS:91999-66-5ChemIDplus