CHEBI:28453 - (20S)-20-hydroxypregn-4-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (20S)-20-hydroxypregn-4-en-3-one
ChEBI ID CHEBI:28453
ChEBI ASCII Name (20S)-20-hydroxypregn-4-en-3-one
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19800, CHEBI:1295, CHEBI:387
Supplier Information
Download Molfile XML SDF
Formula C21H32O2
Net Charge 0
Average Mass 316.47758
Monoisotopic Mass 316.24023
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey RWBRUCCWZPSBFC-RXRZZTMXSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (20S)-20-hydroxypregn-4-en-3-one (CHEBI:28453) has role human metabolite (CHEBI:77746)
(20S)-20-hydroxypregn-4-en-3-one (CHEBI:28453) has role mouse metabolite (CHEBI:75771)
(20S)-20-hydroxypregn-4-en-3-one (CHEBI:28453) is a 20-hydroxypregn-4-en-3-one (CHEBI:36728)
IUPAC Name
(20S)-20-hydroxypregn-4-en-3-one
Synonyms Sources
(20S)-hydroxypregn-4-en-3-one UniProt
(S)-20-Hydroxypregn-4-en-3-one KEGG COMPOUND
20α-dihydroprogesterone ChEBI
20alpha-Hydroxy-4-pregnen-3-one KEGG COMPOUND
20alpha-Hydroxypregn-4-en-3-one KEGG COMPOUND
20alpha-Hydroxyprogesterone KEGG COMPOUND
dihydroprogesterone ChemIDplus
Manual Xref Database
C04042 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
145-14-2 CAS Registry Number KEGG COMPOUND
145-14-2 CAS Registry Number ChemIDplus
2220567 Beilstein Registry Number Beilstein
5754299 Beilstein Registry Number Beilstein
Last Modified
16 May 2024