CHEBI:177472 - evatanepag

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name evatanepag
ChEBI ID CHEBI:177472
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28N2O5S
Net Charge 0
Average Mass 468.570
Monoisotopic Mass 468.17189
InChI InChI=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)
InChIKey WOHRHWDYFNWPNG-UHFFFAOYSA-N
SMILES S(=O)(=O)(N(CC1=CC=C(C(C)(C)C)C=C1)CC2=CC(OCC(O)=O)=CC=C2)C=3C=CC=NC3
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
8066471 ChemSpider
D09613 KEGG DRUG
DB12022 KEGG DRUG
GM9 PDBeChem
View more database links
Registry Number Type Source
223488-57-1 CAS Registry Number ChemIDplus