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CHEBI:8387 - Pregnanediol

ChEBI IDCHEBI:8387
ChEBI NamePregnanediol
Stars
Last Modified7 March 2025
DownloadsMolfile
FormulaC21H36O2
Net Charge0
Average Mass320.517
Monoisotopic Mass320.27153
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyYWYQTGBBEZQBGO-BERLURQNSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (2591044)
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
Pregnanediol (CHEBI:8387) is a corticosteroid hormone (CHEBI:36699)
Pregnanediol (CHEBI:8387) is tautomer of 5β-pregnane-3β,20α-diol (CHEBI:156526)
Incoming Relation(s)
5β-pregnane-3β,20α-diol (CHEBI:156526) is tautomer of Pregnanediol (CHEBI:8387)
Synonyms  Source
PregnanediolKEGG COMPOUND
5beta-Pregnane-3alpha,20alpha-diolKEGG COMPOUND
PregnandiolKEGG COMPOUND
DiolKEGG COMPOUND
5b-Pregnane-3a,20a-diolHMDB
(1S,2S,10S,11S,14S,15R)-14-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,5-diolHMDB
UniProt Name  Source
3α,20α-dihydroxy-5β-pregnaneUniProt
Manual XrefsDatabases
C05484KEGG COMPOUND
D00189KEGG DRUG
PREGNANEDIOLMetaCyc
HMDB0004025HMDB
DiolWikipedia
Registry NumbersSources
CAS:80-92-2KEGG COMPOUND
Citations