CHEBI:45573 - 4-(4-styrylphenylcarbamoyl)butyric acid

ChEBI IDCHEBI:45573
ChEBI Name4-(4-styrylphenylcarbamoyl)butyric acid
Stars
DefinitionA dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxyl groups of glutaric acid with the amino group of 4-aminostilbene.
Last Modified19 December 2016
DownloadsMolfile
FormulaC19H19NO3
Net Charge0
Average Mass309.365
Monoisotopic Mass309.13649
SMILESO=C(O)CCCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+
InChIKeyFTXJWRRYLLRFMG-MDZDMXLPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
4-(4-styrylphenylcarbamoyl)butyric acid (CHEBI:45573) has functional parent glutaric acid (CHEBI:17859)
4-(4-styrylphenylcarbamoyl)butyric acid (CHEBI:45573) has parent hydride stilbene (CHEBI:26775)
4-(4-styrylphenylcarbamoyl)butyric acid (CHEBI:45573) has role epitope (CHEBI:53000)
4-(4-styrylphenylcarbamoyl)butyric acid (CHEBI:45573) is a dicarboxylic acid monoamide (CHEBI:35735)
4-(4-styrylphenylcarbamoyl)butyric acid (CHEBI:45573) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
5-oxo-5-({4-[(E)-2-phenylethenyl]phenyl}amino)pentanoic acid
Synonyms  Source
4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDPDBeChem
5-oxo-5-({4-[(E)-2-phenylvinyl]phenyl}amino)pentanoic acidChEBI
(E)-4-glutaramidostilbeneChEBI
Manual XrefsDatabases
SPBPDBeChem
3CFBPDB
1FL3PDB
DB08562DrugBank
Registry NumbersSources
Reaxys:8855821Reaxys
Citations