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

ChEBI IDCHEBI:36728
ChEBI Name20-hydroxypregn-4-en-3-one
Stars
DefinitionA 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.
Last Modified16 May 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H32O2
Net Charge0
Average Mass316.485
Monoisotopic Mass316.24023
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])C(C)O
InChIInChI=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
InChIKeyRWBRUCCWZPSBFC-HWSYHKBZSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
20-hydroxy-4-pregnen-3-oneLIPID MAPS
20-dihydroprogesteroneLIPID MAPS
UniProt Name  Source
20-hydroxypregn-4-en-3-oneUniProt
Manual XrefsDatabases
LMST02030152LIPID MAPS
Registry NumbersSources
Reaxys:2335964Reaxys
CAS:15114-79-1ChEBI
Citations