EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183806 - 7β-hydroxypregnenolone

ChEBI IDCHEBI:183806
ChEBI Name7β-hydroxypregnenolone
Stars
ASCII Name7beta-hydroxypregnenolone
DefinitionA 20-oxo steroid that is pregnenolone carrying an additional hydroxy substituent at the 7β-position.
Last Modified18 November 2021
Submitterlaimo
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILES[H][C@]12CC[C@]3(C)[C@@H](C(C)=O)CC[C@@]3([H])[C@]1([H])[C@@H](O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C21H32O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-19,23-24H,4-10H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21+/m0/s1
InChIKeyUEWNVBNIVGLQPG-OCHQKFOUSA-N
Species of MetaboliteComponentSourceComments
Fusarium fujikuroi (ncbitaxon:5127) - PubMed (16272731)
Coturnix japonica (ncbitaxon:93934) brain (BTO:0000142) PubMed (19362555)
Roles Classification
Biological Roles:
fungal xenobiotic metabolite  Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
7β-hydroxypregnenolone (CHEBI:183806) has functional parent pregnenolone (CHEBI:16581)
7β-hydroxypregnenolone (CHEBI:183806) has role animal metabolite (CHEBI:75767)
7β-hydroxypregnenolone (CHEBI:183806) has role fungal xenobiotic metabolite (CHEBI:76968)
7β-hydroxypregnenolone (CHEBI:183806) is a 20-oxo steroid (CHEBI:36885)
7β-hydroxypregnenolone (CHEBI:183806) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
7β-hydroxypregnenolone (CHEBI:183806) is a 7β-hydroxy steroid (CHEBI:35349)
7β-hydroxypregnenolone (CHEBI:183806) is a C21-steroid (CHEBI:61313)
IUPAC Name 
3β,7β-dihydroxypregn-5-en-20-one
Synonym  Source
3β,7β-dihydroxy-5-pregnen-20-oneSUBMITTER
UniProt Name  Source
7β-hydroxypregnenoloneUniProt
Citations