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CHEBI:81470 - 5alpha-Pregnane-3alpha,20alpha-diol

Default Structure
ChEBI IDCHEBI:81470
ChEBI Name5alpha-Pregnane-3alpha,20alpha-diol
Stars
Last Modified6 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-CGVINKDUSA-N
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)
5alpha-Pregnane-3alpha,20alpha-diol (CHEBI:81470) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
Allopregnane-3alpha,20alpha-diolKEGG COMPOUND
UniProt Name  Source
3α,20α-dihydroxy-5α-pregnaneUniProt
Manual XrefsDatabases
C18042KEGG COMPOUND
HMDB0060409HMDB
Registry NumbersSources
CAS:566-58-5KEGG COMPOUND