EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132620 - 6α-hydroxycholestanol

ChEBI IDCHEBI:132620
ChEBI Name6α-hydroxycholestanol
Stars
ASCII Name6alpha-hydroxycholestanol
DefinitionA sterol that is cholestanol in which the hydrogen at the 6α position has been replaced by a hydroxy group.
Last Modified16 August 2016
Submitterliuqingping
DownloadsMolfile
FormulaC27H48O2
Net Charge0
Average Mass404.679
Monoisotopic Mass404.36543
SMILES[H][C@@]12C[C@H](O)[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@]([H])(C)CCCC(C)C
InChIInChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1
InChIKeyPMWTYEQRXYIMND-XNZKQLDXSA-N
ChEBI Ontology
Outgoing Relation(s)
6α-hydroxycholestanol (CHEBI:132620) is a 3β-hydroxy steroid (CHEBI:36836)
6α-hydroxycholestanol (CHEBI:132620) is a 6α-hydroxy steroid (CHEBI:36850)
6α-hydroxycholestanol (CHEBI:132620) is a diol (CHEBI:23824)
6α-hydroxycholestanol (CHEBI:132620) is a sterol (CHEBI:15889)
IUPAC Name 
(5α)-cholestane-3β,6α-diol
Synonyms  Source
(3β,5α,6α)-cholestane-3,6-diolChEBI
cholestan-3β,6α-diolLIPID MAPS
6α-hydroxycholestanolLIPID MAPS
Manual XrefsDatabases
6367315PubChem Compound
LMST01010135LIPID MAPS
Registry NumbersSources
Reaxys:3211240Reaxys