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CHEBI:174650 - 19-Oxo-deoxycorticosterone

ChEBI IDCHEBI:174650
ChEBI Name19-Oxo-deoxycorticosterone
Stars
Last Modified19 May 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)CO)CC[C@@]21[H]
InChIInChI=1S/C21H28O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,12,15-18,22H,2-9,11H2,1H3/t15-,16-,17-,18+,20-,21+/m0/s1
InChIKeyPDNIPWXQYQYCSU-ZOCXKQACSA-N
ChEBI Ontology
Outgoing Relation(s)
19-Oxo-deoxycorticosterone (CHEBI:174650) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
(8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
UniProt Name  Source
19-oxo-11-deoxycorticosteroneUniProt
Manual XrefsDatabases
151363ChemSpider
Registry NumbersSources
CAS:75220-37-0ChemIDplus