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CHEBI:177534 - Pregnane-3,3-diol

ChEBI IDCHEBI:177534
ChEBI NamePregnane-3,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O2
Net Charge0
Average Mass320.517
Monoisotopic Mass320.27153
SMILES[H][C@@]12CCC3CC(O)(O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](CC)CC[C@@]21[H]
InChIInChI=1S/C21H36O2/c1-4-14-6-8-17-16-7-5-15-13-21(22,23)12-11-20(15,3)18(16)9-10-19(14,17)2/h14-18,22-23H,4-13H2,1-3H3/t14-,15?,16-,17-,18-,19+,20-/m0/s1
InChIKeyJBSVQUOGNMYMSF-CIQUAOMQSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
Pregnane-3,3-diol (CHEBI:177534) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
Manual XrefsDatabases
2297701ChemSpider
HMDB0004025HMDB
C05484KEGG COMPOUND
Registry NumbersSources
CAS:26445-07-8ChemIDplus