CHEBI:36728 - 20-hydroxypregn-4-en-3-one

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ChEBI Name 20-hydroxypregn-4-en-3-one
ChEBI ID CHEBI:36728
Definition A C21-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and a hydroxy group at position 20.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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-HWSYHKBZSA-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(C)O
ChEBI Ontology
Outgoing 20-hydroxypregn-4-en-3-one (CHEBI:36728) has parent hydride pregnane (CHEBI:8386)
20-hydroxypregn-4-en-3-one (CHEBI:36728) is a 20-hydroxy steroid (CHEBI:36854)
20-hydroxypregn-4-en-3-one (CHEBI:36728) is a 3-oxo-Δ4 steroid (CHEBI:47909)
20-hydroxypregn-4-en-3-one (CHEBI:36728) is a C21-steroid (CHEBI:61313)
Incoming (20R)-20-hydroxypregn-4-en-3-one (CHEBI:36729) is a 20-hydroxypregn-4-en-3-one (CHEBI:36728)
(20S)-20-hydroxypregn-4-en-3-one (CHEBI:28453) is a 20-hydroxypregn-4-en-3-one (CHEBI:36728)
IUPAC Name
20-hydroxypregn-4-en-3-one
Synonyms Sources
20-dihydroprogesterone ChEBI
20-hydroxy-4-pregnen-3-one ChEBI
20-hydroxypregn-4-en-3-one UniProt
Manual Xref Database
C03965 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2335964 Beilstein Registry Number Beilstein
2335964 Reaxys Registry Number Reaxys
Last Modified
11 January 2022