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CHEBI:190382 - 5alpha-Cholestane-3beta,7alpha,12alpha,25,26-pentol

ChEBI IDCHEBI:190382
ChEBI Name5alpha-Cholestane-3beta,7alpha,12alpha,25,26-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O5
Net Charge0
Average Mass452.676
Monoisotopic Mass452.35017
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)CCCC(C)(O)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1
InChIKeyXZDHXPDYLPEFQI-CGNNBXCQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
5alpha-Cholestane-3beta,7alpha,12alpha,25,26-pentol (CHEBI:190382) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-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
LMST04030012LIPID MAPS
4447279ChemSpider