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CHEBI:18093 - 17,21-dihydroxy-5β-pregnane-3,11,20-trione

ChEBI IDCHEBI:18093
ChEBI Name17,21-dihydroxy-5β-pregnane-3,11,20-trione
Stars
ASCII Name17,21-dihydroxy-5beta-pregnane-3,11,20-trione
DefinitionA 4,5-dihydrocortisone that has β- configuration at position 5.
Secondary ChEBI IDsCHEBI:785, CHEBI:1753, CHEBI:11927, CHEBI:20277
Last Modified6 February 2018
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1
InChIKeyYCLWEYIBFOLMEM-FNLRALKVSA-N
ChEBI Ontology
Outgoing Relation(s)
17,21-dihydroxy-5β-pregnane-3,11,20-trione (CHEBI:18093) is a 3-oxo-5β-steroid (CHEBI:1624)
17,21-dihydroxy-5β-pregnane-3,11,20-trione (CHEBI:18093) is a 4,5-dihydrocortisone (CHEBI:23736)
17,21-dihydroxy-5β-pregnane-3,11,20-trione (CHEBI:18093) is a primary α-hydroxy ketone (CHEBI:139590)
17,21-dihydroxy-5β-pregnane-3,11,20-trione (CHEBI:18093) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
17,21-dihydroxy-5β-pregnane-3,11,20-trione
Synonyms  Source
17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trioneKEGG COMPOUND
5beta-Pregnane-17alpha,21-diol-3,11,20-trioneKEGG COMPOUND
4,5beta-DihydrocortisoneKEGG COMPOUND
4,5beta-dihydrocortisoneChEBI
5-dihydrocortisoneChemIDplus
4,5beta-DihydrocortisoneKEGG COMPOUND
UniProt Name  Source
4,5β-dihydrocortisoneUniProt
Manual XrefsDatabases
C05469KEGG COMPOUND
LMST02030095LIPID MAPS
Registry NumbersSources
Beilstein:3222844Beilstein
CAS:68-54-2KEGG COMPOUND
CAS:68-54-2ChemIDplus