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CHEBI:34461 - 5-alpha-THDOC

ChEBI IDCHEBI:34461
ChEBI Name5-alpha-THDOC
Stars
Last Modified6 March 2025
DownloadsMolfile
FormulaC21H34O3
Net Charge0
Average Mass334.500
Monoisotopic Mass334.25079
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C(=O)CO)CC[C@@]34[H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
InChIKeyCYKYBWRSLLXBOW-GDYGHMJCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood (UBERON:0000178) PubMed (16959481)
urine (BTO:0001419) PubMed (6249834)
ChEBI Ontology
Outgoing Relation(s)
5-alpha-THDOC (CHEBI:34461) is a 21-hydroxy steroid (CHEBI:35344)
Synonyms  Source
5-alpha-THDOCKEGG COMPOUND
AllotetrahydrodeoxycorticosteroneKEGG COMPOUND
5alpha-THDOCKEGG COMPOUND
3alpha,21-Dihydroxy-5alpha-pregnan-20-oneKEGG COMPOUND
2-hydroxy-1-[(1S,2S,5R,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-oneHMDB
Tetrahydro-11-deoxycorticosteroneHMDB
UniProt Name  Source
3α,21-dihydroxy-5α-pregnane-20-oneUniProt
Manual XrefsDatabases
C13713KEGG COMPOUND
HMDB0000879HMDB
Registry NumbersSources
CAS:567-02-2KEGG COMPOUND
CAS:567-03-3KEGG COMPOUND
Citations