EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183836 - [1,1'-biphenyl]-2-carboxylic acid, 4'-[[(1-oxopentyl)phenylamino]methyl]-

ChEBI IDCHEBI:183836
ChEBI Name[1,1'-biphenyl]-2-carboxylic acid, 4'-[[(1-oxopentyl)phenylamino]methyl]-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H25NO3
Net Charge0
Average Mass387.479
Monoisotopic Mass387.18344
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-2-3-13-24(27)26(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25(28)29/h4-12,14-17H,2-3,13,18H2,1H3,(H,28,29)
InChIKeyIUJTVDNJFPZYBL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
[1,1'-biphenyl]-2-carboxylic acid, 4'-[[(1-oxopentyl)phenylamino]methyl]- (CHEBI:183836) is a biphenyls (CHEBI:22888)
IUPAC Name 
2-[4-[(N-pentanoylanilino)methyl]phenyl]benzoic acid
Manual XrefsDatabases
26458064ChemSpider