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CHEBI:229017 - 5alpha-Pregnane-3beta,20beta-diol

ChEBI IDCHEBI:229017
ChEBI Name5alpha-Pregnane-3beta,20beta-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O2
Net Charge0
Average Mass320.517
Monoisotopic Mass320.27153
SMILESCC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
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
InChIKeyYWYQTGBBEZQBGO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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-3beta,20beta-diol (CHEBI:229017) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
4732ChemSpider
HMDB0246874HMDB