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CHEBI:16372 - 4,5α-dihydrocortisone

ChEBI IDCHEBI:16372
ChEBI Name4,5α-dihydrocortisone
Stars
ASCII Name4,5alpha-dihydrocortisone
DefinitionThe 5α-stereoisomer of 4,5-dihydrocortisone.
Secondary ChEBI IDsCHEBI:1752, CHEBI:11926, CHEBI:20276
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-/m0/s1
InChIKeyYCLWEYIBFOLMEM-FZPGBCFJSA-N
ChEBI Ontology
Outgoing Relation(s)
4,5α-dihydrocortisone (CHEBI:16372) is a 3-oxo-5α-steroid (CHEBI:13601)
4,5α-dihydrocortisone (CHEBI:16372) is a 4,5-dihydrocortisone (CHEBI:23736)
4,5α-dihydrocortisone (CHEBI:16372) is a primary α-hydroxy ketone (CHEBI:139590)
IUPAC Name 
17,21-dihydroxy-5α-pregnane-3,11,20-trione
Synonym  Source
4,5alpha-DihydrocortisoneKEGG COMPOUND
UniProt Name  Source
4,5α-dihydrocortisoneUniProt
Manual XrefsDatabases
C03588KEGG COMPOUND
LMST02030096LIPID MAPS
Registry NumbersSources
Beilstein:4206949Beilstein
Reaxys:3222843Reaxys