CHEBI:16372 - 4,5α-dihydrocortisone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,5α-dihydrocortisone
ChEBI ID CHEBI:16372
ChEBI ASCII Name 4,5alpha-dihydrocortisone
Definition The 5α-stereoisomer of 4,5-dihydrocortisone.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20276, CHEBI:11926, CHEBI:1752
Supplier Information
Download Molfile XML SDF
Formula C21H30O5
Net Charge 0
Average Mass 362.45990
Monoisotopic Mass 362.20932
InChI InChI=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
InChIKey YCLWEYIBFOLMEM-FZPGBCFJSA-N
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
ChEBI Ontology
Outgoing 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
Synonyms Sources
4,5alpha-Dihydrocortisone KEGG COMPOUND
4,5α-dihydrocortisone UniProt
Manual Xrefs Databases
C03588 KEGG COMPOUND
LMST02030096 LIPID MAPS
View more database links
Registry Numbers Types Sources
3222843 Reaxys Registry Number Reaxys
4206949 Beilstein Registry Number Beilstein
Last Modified
06 February 2018