CHEBI:28043 - 21-hydroxypregnenolone

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ChEBI Name 21-hydroxypregnenolone
ChEBI ID CHEBI:28043
Definition A hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1299, CHEBI:19802
Supplier Information
Download Molfile XML SDF
Formula C21H32O3
Net Charge 0
Average Mass 332.47698
Monoisotopic Mass 332.235
InChI InChI=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
InChIKey MOIQRAOBRXUWGN-WPWXJNKXSA-N
SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(=O)CO
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Incoming 21-hydroxypregnenolone disulfate (CHEBI:133695) has functional parent 21-hydroxypregnenolone (CHEBI:28043)
IUPAC Name
3β,21-dihydroxypregn-5-en-20-one
Synonyms Sources
(3β)-3,21-dihydroxypregn-5-en-20-one ChemIDplus
21-Hydroxypregnenolone KEGG COMPOUND
Database Link Database
C05485 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1164-98-3 CAS Registry Number ChemIDplus
2627411 Beilstein Registry Number Beilstein
Last Modified
25 April 2017