CHEBI:1298 - 21-Hydroxy-5beta-pregnane-3,11,20-trione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 21-Hydroxy-5beta-pregnane-3,11,20-trione
ChEBI ID CHEBI:1298
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H30O4
Net Charge 0
Average Mass 346.461
Monoisotopic Mass 346.21441
InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12?,14-,15-,16?,19+,20-,21-/m0/s1
InChIKey ZDUVZJUTJOBJHS-CRQIWHQQSA-N
SMILES C[C@]12CC(=O)[C@H]3[C@@H](CCC4CC(=O)CC[C@]34C)[C@@H]1CCC2C(=O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
ChEBI Ontology
Outgoing 21-Hydroxy-5beta-pregnane-3,11,20-trione (CHEBI:1298) is a 21-hydroxy steroid (CHEBI:35344)
Synonym Source
21-Hydroxy-5beta-pregnane-3,11,20-trione KEGG COMPOUND
Manual Xref Database
C05477 KEGG COMPOUND
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Last Modified
27 January 2016