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CHEBI:28043 - 21-hydroxypregnenolone

ChEBI IDCHEBI:28043
ChEBI Name21-hydroxypregnenolone
Stars
DefinitionA hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21.
Secondary ChEBI IDsCHEBI:1299, CHEBI:19802
Last Modified6 February 2018
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(=O)CO)CC[C@@]21[H]
InChIInChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1
InChIKeyMOIQRAOBRXUWGN-WPWXJNKXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
21-hydroxypregnenolone (CHEBI:28043) has role mouse metabolite (CHEBI:75771)
21-hydroxypregnenolone (CHEBI:28043) is a 21-hydroxy steroid (CHEBI:35344)
21-hydroxypregnenolone (CHEBI:28043) is a hydroxypregnenolone (CHEBI:36730)
21-hydroxypregnenolone (CHEBI:28043) is a primary α-hydroxy ketone (CHEBI:139590)
Incoming Relation(s)
21-hydroxypregnenolone disulfate (CHEBI:133695) has functional parent 21-hydroxypregnenolone (CHEBI:28043)
IUPAC Name 
3β,21-dihydroxypregn-5-en-20-one
Synonyms  Source
21-HydroxypregnenoloneKEGG COMPOUND
(3β)-3,21-dihydroxypregn-5-en-20-oneChemIDplus
Manual XrefsDatabases
C05485KEGG COMPOUND
Registry NumbersSources
Beilstein:2627411Beilstein
CAS:1164-98-3KEGG COMPOUND
CAS:1164-98-3ChemIDplus