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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17,21-dihydroxy-5β-pregnane-3,11,20-trione
ChEBI ID CHEBI:18093
ChEBI ASCII Name 17,21-dihydroxy-5beta-pregnane-3,11,20-trione
Definition A 4,5-dihydrocortisone that has β- configuration at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:785, CHEBI:11927, CHEBI:1753, CHEBI:20277
Supplier Information
Download Molfile XML SDF
Formula C21H30O5
Net Charge 0
Average Mass 362.45990
Monoisotopic Mass 362.209
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+/m1/s1
InChIKey YCLWEYIBFOLMEM-FNLRALKVSA-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 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)
IUPAC Name
17,21-dihydroxy-5β-pregnane-3,11,20-trione
Synonyms Sources
17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione KEGG COMPOUND
4,5beta-dihydrocortisone ChEBI
4,5beta-Dihydrocortisone KEGG COMPOUND
4,5β-dihydrocortisone UniProt
4,5beta-Dihydrocortisone KEGG COMPOUND
5-dihydrocortisone ChemIDplus
5beta-Pregnane-17alpha,21-diol-3,11,20-trione KEGG COMPOUND
Database Links Databases
C05469 KEGG COMPOUND
LMST02030095 LIPID MAPS
View more database links
Registry Numbers Types Sources
3222844 Beilstein Registry Number Beilstein
68-54-2 CAS Registry Number KEGG COMPOUND
68-54-2 CAS Registry Number ChemIDplus
Last Modified
26 April 2017