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CHEBI:175524 - 27-Deoxy-5alpha-cyprinol

ChEBI IDCHEBI:175524
ChEBI Name27-Deoxy-5alpha-cyprinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O4
Net Charge0
Average Mass436.677
Monoisotopic Mass436.35526
SMILESCC(CO)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
InChIInChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3
InChIKeyXJZGNVBLVFOSKJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
27-Deoxy-5alpha-cyprinol (CHEBI:175524) is a bile acid (CHEBI:3098)
IUPAC Name 
17-(7-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Manual XrefsDatabases
HMDB0029851HMDB
137ChemSpider