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CHEBI:34464 - 5beta-Pregnane-3alpha,17alpha,20alpha-triol

ChEBI IDCHEBI:34464
ChEBI Name5beta-Pregnane-3alpha,17alpha,20alpha-triol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H36O3
Net Charge0
Average Mass336.516
Monoisotopic Mass336.26645
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(O)[C@H](C)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1
InChIKeySCPADBBISMMJAW-UHHUKTEYSA-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)
5beta-Pregnane-3alpha,17alpha,20alpha-triol (CHEBI:34464) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
5beta-Pregnane-3alpha,17alpha,20alpha-triolKEGG COMPOUND
Manual XrefsDatabases
C14680KEGG COMPOUND
Registry NumbersSources
CAS:1098-45-9KEGG COMPOUND