EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:771 - 16α-hydroxypregnenolone

ChEBI IDCHEBI:771
ChEBI Name16α-hydroxypregnenolone
Stars
ASCII Name16alpha-hydroxypregnenolone
DefinitionA hydroxypregnenolone that is pregnenolone substituted by a α-hydroxy group at position 16.
Last Modified25 April 2017
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)[C@H](O)C[C@@]21[H]
InChIInChI=1S/C21H32O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
InChIKeyZAKJZPQDUPCXSD-YRWKUUEZSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
16α-hydroxypregnenolone (CHEBI:771) has role human metabolite (CHEBI:77746)
16α-hydroxypregnenolone (CHEBI:771) is a 16α-hydroxy steroid (CHEBI:16799)
16α-hydroxypregnenolone (CHEBI:771) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
16α-hydroxypregnenolone (CHEBI:771) is a hydroxypregnenolone (CHEBI:36730)
IUPAC Name 
3β,16α-dihydroxypregn-5-en-20-one
Synonyms  Source
16-alpha-HydroxypregnenoloneKEGG COMPOUND
(3β,16α)-3,16-dihydroxypregn-5-en-20-oneChemIDplus
16alpha-HydroxypregnenoloneKEGG COMPOUND
Manual XrefsDatabases
C06390KEGG COMPOUND
HMDB0000315HMDB
Registry NumbersSources
Reaxys:3215687Reaxys
CAS:520-88-7ChemIDplus
CAS:520-88-7KEGG COMPOUND
Citations