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CHEBI:28324 - 11-deoxycortisol

ChEBI IDCHEBI:28324
ChEBI Name11-deoxycortisol
Stars
DefinitionA deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen.
Secondary ChEBI IDsCHEBI:714, CHEBI:19124
Last Modified6 February 2018
DownloadsMolfile

FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO
InChIInChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
InChIKeyWHBHBVVOGNECLV-OBQKJFGGSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
17,21-dihydroxypregn-4-ene-3,20-dione
Synonyms  Source
11-DeoxycortisolKEGG COMPOUND
cortodoxoneChemIDplus
11-desoxy-17-hydroxycorticosteroneChemIDplus
CortodoxoneKEGG COMPOUND
UniProt Name  Source
11-deoxycortisolUniProt
Manual XrefsDatabases
C05488KEGG COMPOUND
D03595KEGG DRUG
LMST02030086LIPID MAPS
CortexoloneWikipedia
HMDB0000015HMDB
Registry NumbersSources
Reaxys:2511358Reaxys
CAS:152-58-9KEGG COMPOUND
CAS:152-58-9ChemIDplus
Citations