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CHEBI:34352 - 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one

ChEBI IDCHEBI:34352
ChEBI Name3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(O)C(=O)CO)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1
InChIKeyUPTAPIKFKZGAGM-FAIYVORSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (14643447)
ChEBI Ontology
Outgoing Relation(s)
3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one (CHEBI:34352) is a 21-hydroxy steroid (CHEBI:35344)
Synonyms  Source
3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-oneKEGG COMPOUND
Tetrahydro-11-deoxycortisolKEGG COMPOUND
TetrahydrocortexoloneHMDB
3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-oneHMDB
5beta-Pregnane-3alpha,17alpha,21-triol-20-oneHMDB
1-[(1S,2S,5R,7R,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethan-1-oneHMDB
Manual XrefsDatabases
C14594KEGG COMPOUND
HMDB0005972HMDB
Registry NumbersSources
CAS:68-60-0KEGG COMPOUND
Citations