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 LIPID MAPS
20-hydroxy-4-pregnen-3-one LIPID MAPS
20-hydroxypregn-4-en-3-one UniProt
Manual Xref Database
LMST02030152 LIPID MAPS
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Registry Numbers Types Sources
15114-79-1 CAS Registry Number ChEBI
2335964 Beilstein Registry Number Beilstein
2335964 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1118862 PubMed citation Europe PMC
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Last Modified
16 May 2024