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CHEBI:187771 - 5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26-pentol

ChEBI IDCHEBI:187771
ChEBI Name5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O5
Net Charge0
Average Mass452.676
Monoisotopic Mass452.35017
SMILES[H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)CO)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)C[C@H](O)[C@@H](O)C2
InChIInChI=1S/C27H48O5/c1-15(14-28)6-5-7-16(2)18-8-9-19-25-20(12-24(32)27(18,19)4)26(3)13-23(31)21(29)10-17(26)11-22(25)30/h15-25,28-32H,5-14H2,1-4H3/t15?,16-,17+,18-,19+,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
InChIKeyHULTZIXIJZAWNK-QNZXEWCPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26-pentol (CHEBI:187771) is a steroid (CHEBI:35341)
IUPAC Name 
(2S,3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-7-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-2,3,7,12-tetrol
Manual XrefsDatabases
LMST04030004LIPID MAPS
4447271ChemSpider