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CHEBI:28082 - 5α-cholestane-3β,5,6β-triol

ChEBI IDCHEBI:28082
ChEBI Name5α-cholestane-3β,5,6β-triol
Stars
ASCII Name5alpha-cholestane-3beta,5,6beta-triol
Secondary ChEBI IDsCHEBI:1717, CHEBI:20241
Last Modified19 August 2015
DownloadsMolfile
FormulaC27H48O3
Net Charge0
Average Mass420.678
Monoisotopic Mass420.36035
SMILES[H][C@@]12C[C@@H](O)[C@@]3(O)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/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKeyYMMFNKXZULYSOQ-RUXQDQFYSA-N
ChEBI Ontology
Outgoing Relation(s)
5α-cholestane-3β,5,6β-triol (CHEBI:28082) has parent hydride 5α-cholestane (CHEBI:35515)
5α-cholestane-3β,5,6β-triol (CHEBI:28082) is a 3β-hydroxy steroid (CHEBI:36836)
5α-cholestane-3β,5,6β-triol (CHEBI:28082) is a 5α-hydroxy steroid (CHEBI:38194)
5α-cholestane-3β,5,6β-triol (CHEBI:28082) is a 6β-hydroxy steroid (CHEBI:36851)
IUPAC Name 
5α-cholestane-3β,5,6β-triol
Synonyms  Source
3beta,5alpha,6beta-CholestanetriolKEGG COMPOUND
Cholestane-3-beta,5-alpha,6-beta-triolChemIDplus
3β,5α,6β-TrihydroxycholestaneChemIDplus
Cholestane-3beta-5alpha,6beta-triolKEGG COMPOUND
UniProt Name  Source
5α-cholestane-3β,5,6β-triolUniProt
Manual XrefsDatabases
C05425KEGG COMPOUND
LMST01010052LIPID MAPS
Registry NumbersSources
Beilstein:2221527Beilstein
CAS:1253-84-5KEGG COMPOUND
CAS:1253-84-5ChemIDplus