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CHEBI:173194 - 11b,21-Dihydroxy-5b-pregnane-3,20-dione

ChEBI IDCHEBI:173194
ChEBI Name11b,21-Dihydroxy-5b-pregnane-3,20-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CCC(C(=O)CO)[C@@]4(C)C[C@H](O)[C@]3([H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C21H32O4/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/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14+,15+,16?,17+,19-,20+,21+/m1/s1
InChIKeyCTTOFMJLOGMZRN-MGXYISIMSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
11b,21-Dihydroxy-5b-pregnane-3,20-dione (CHEBI:173194) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
(5R,8S,9S,10S,11S,13S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
HMDB0006757HMDB
C05475KEGG COMPOUND
LMST02030188LIPID MAPS
24850104ChemSpider