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CHEBI:28750 - 17α-hydroxypregnenolone

ChEBI IDCHEBI:28750
ChEBI Name17α-hydroxypregnenolone
Stars
ASCII Name17alpha-hydroxypregnenolone
DefinitionA hydroxypregnenolone carrying an α-hydroxy group at position 17.
Secondary ChEBI IDsCHEBI:789, CHEBI:19172
Last Modified17 January 2023
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@@]2([H])CC[C@]1(O)C(C)=O
InChIInChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKeyJERGUCIJOXJXHF-TVWVXWENSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
17α-hydroxypregnenolone (CHEBI:28750) has role human metabolite (CHEBI:77746)
17α-hydroxypregnenolone (CHEBI:28750) has role mouse metabolite (CHEBI:75771)
17α-hydroxypregnenolone (CHEBI:28750) is a 17α-hydroxy steroid (CHEBI:35342)
17α-hydroxypregnenolone (CHEBI:28750) is a 17α-hydroxy-C21-steroid (CHEBI:138141)
17α-hydroxypregnenolone (CHEBI:28750) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
17α-hydroxypregnenolone (CHEBI:28750) is a hydroxypregnenolone (CHEBI:36730)
17α-hydroxypregnenolone (CHEBI:28750) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) has functional parent 17α-hydroxypregnenolone (CHEBI:28750)
IUPAC Name 
3β,17-dihydroxypregn-5-en-20-one
Synonyms  Source
17alpha-HydroxypregnenoloneKEGG COMPOUND
17-hydroxypregnenoloneChemIDplus
(3β)-3,17-dihydroxypregn-5-en-20-oneChemIDplus
5-pregnen-3β,17α-diol-20-oneChemIDplus
UniProt Name  Source
17α-hydroxypregnenoloneUniProt
Manual XrefsDatabases
C05138KEGG COMPOUND
LMST02030089LIPID MAPS
CPD66-23MetaCyc
HMDB0000363HMDB
17-HydroxypregnenoloneWikipedia
Registry NumbersSources
Reaxys:2337329Reaxys
CAS:387-79-1KEGG COMPOUND
CAS:387-79-1ChemIDplus
Citations