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CHEBI:85809 - 5α-androstane-3β,6α,17β-triol

ChEBI IDCHEBI:85809
ChEBI Name5α-androstane-3β,6α,17β-triol
Stars
ASCII Name5alpha-androstane-3beta,6alpha,17beta-triol
DefinitionA 3β sterol that is 5α-androstane which is substituted by β-hydroxy groups at positions 3 and 17 and by an α-hydroxy group at position 6.
Last Modified25 May 2015
Submitternhn
DownloadsMolfile
FormulaC19H32O3
Net Charge0
Average Mass308.462
Monoisotopic Mass308.23514
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@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H32O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,16-,17-,18+,19-/m0/s1
InChIKeyOFAZPSYXUKIJIK-JGRZZSDMSA-N
Roles Classification
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
5α-androstane-3β,6α,17β-triol (CHEBI:85809) has functional parent 5α-androstane (CHEBI:28859)
5α-androstane-3β,6α,17β-triol (CHEBI:85809) has role mammalian metabolite (CHEBI:75768)
5α-androstane-3β,6α,17β-triol (CHEBI:85809) is a 17β-hydroxy steroid (CHEBI:35343)
5α-androstane-3β,6α,17β-triol (CHEBI:85809) is a 3β-sterol (CHEBI:35348)
5α-androstane-3β,6α,17β-triol (CHEBI:85809) is a 6α-hydroxy steroid (CHEBI:36850)
5α-androstane-3β,6α,17β-triol (CHEBI:85809) is a triol (CHEBI:27136)
IUPAC Name 
5α-androstane-3β,6α,17β-triol
Synonyms  Source
(3β,5α,6α,17β)-androstane-3,7,17-triolIUPAC
3β,6α,17β-trihydroxy-5α-androstaneChemIDplus
UniProt Name  Source
5α-androstane-3β,6α,17β-triolUniProt
Registry NumbersSources
CAS:49644-04-4ChemIDplus
Citations