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CHEBI:177472 - evatanepag

ChEBI IDCHEBI:177472
ChEBI Nameevatanepag
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28N2O5S
Net Charge0
Average Mass468.575
Monoisotopic Mass468.17189
SMILESCC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
InChIKeyWOHRHWDYFNWPNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
evatanepag (CHEBI:177472) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulonylamino]methyl]phenoxy]acetic acid
Manual XrefsDatabases
8066471ChemSpider
D09613KEGG DRUG
DB12022DrugBank
GM9PDBeChem
Registry NumbersSources
CAS:223488-57-1ChemIDplus