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CHEBI:192151 - 5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26,27-hexol

ChEBI IDCHEBI:192151
ChEBI Name5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26,27-hexol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O6
Net Charge0
Average Mass468.675
Monoisotopic Mass468.34509
SMILES[H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(CO)CO)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)C[C@H](O)[C@@H](O)C2
InChIInChI=1S/C27H48O6/c1-15(5-4-6-16(13-28)14-29)18-7-8-19-25-20(11-24(33)27(18,19)3)26(2)12-23(32)21(30)9-17(26)10-22(25)31/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19+,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
InChIKeyMHKBMAGLFQUWNK-WFCMISQWSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26,27-hexol (CHEBI:192151) is a steroid (CHEBI:35341)
IUPAC Name 
(2S,3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-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
4447272ChemSpider
LMST04030005LIPID MAPS