EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:85810 - androst-5-ene-3β,7α,17β-triol

ChEBI IDCHEBI:85810
ChEBI Nameandrost-5-ene-3β,7α,17β-triol
Stars
ASCII Nameandrost-5-ene-3beta,7alpha,17beta-triol
DefinitionA 3β-hydroxy steroid that is β-hydroxyandrost-5-ene carrying two additional hydroxy groups at positions 7α and 17β.
Last Modified25 April 2017
Submitternhn
DownloadsMolfile
FormulaC19H30O3
Net Charge0
Average Mass306.446
Monoisotopic Mass306.21949
SMILES[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-17,20-22H,3-9H2,1-2H3/t12-,13-,14-,15+,16-,17-,18-,19-/m0/s1
InChIKeyOEVZKEVBDIDVOI-FMKNUBLKSA-N
ChEBI Ontology
Outgoing Relation(s)
androst-5-ene-3β,7α,17β-triol (CHEBI:85810) is a 17β-hydroxy steroid (CHEBI:35343)
androst-5-ene-3β,7α,17β-triol (CHEBI:85810) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
androst-5-ene-3β,7α,17β-triol (CHEBI:85810) is a 7α-hydroxy steroid (CHEBI:36843)
androst-5-ene-3β,7α,17β-triol (CHEBI:85810) is a triol (CHEBI:27136)
IUPAC Name 
androst-5-en-3β,7α,17β-triol
Synonym  Source
(3β,7α,17β)-androst-5-ene-3,7,17-triolChEBI
UniProt Name  Source
androst-5-en-3β,7α,17β-triolUniProt
Registry NumbersSources
Reaxys:3211320Reaxys
Citations