N-(trans-4'-nitro-4-stilbenyl)-N-methyl-5-aminopentanoic acid (CHEBI:46151)

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ChEBI Name	*N-(trans-4'-nitro-4-stilbenyl)-N-methyl-5-aminopentanoic acid*

ChEBI ID	CHEBI:46151

ChEBI ASCII Name	N-(trans-4'-nitro-4-stilbenyl)-N-methyl-5-aminopentanoic acid

Definition	A C-nitro compound that is a stilbene derivative having an N-methyl,N-5-carboxypentylamino group at the 4-position and a nitro substituent at the 4'-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H22N2O4

Net Charge

Average Mass

354.39970

Monoisotopic Mass

354.15796

InChI

InChI=1S/C20H22N2O4/c1-21(15-3-2-4-20(23)24)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)22(25)26/h5-14H,2-4,15H2,1H3,(H,23,24)/b6-5+

InChIKey

QLLZAVDYYAQESE-AATRIKPKSA-N

SMILES

CN(CCCCC(O)=O)c1ccc(cc1)\C=C\c1ccc(cc1)[N+]([O-])=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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	N-(trans-4'-nitro-4-stilbenyl)-N-methyl-5-aminopentanoic acid (CHEBI:46151) has parent hydride trans-stilbene (CHEBI:36007) N-(trans-4'-nitro-4-stilbenyl)-N-methyl-5-aminopentanoic acid (CHEBI:46151) has role epitope (CHEBI:53000) N-(trans-4'-nitro-4-stilbenyl)-N-methyl-5-aminopentanoic acid (CHEBI:46151) is a C-nitro compound (CHEBI:35716) N-(trans-4'-nitro-4-stilbenyl)-N-methyl-5-aminopentanoic acid (CHEBI:46151) is a monocarboxylic acid (CHEBI:25384) N-(trans-4'-nitro-4-stilbenyl)-N-methyl-5-aminopentanoic acid (CHEBI:46151) is a tertiary amine (CHEBI:32876)

IUPAC Name

5-(methyl{4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl}amino)pentanoic acid

Synonym	Source
5-(methyl{4-[(E)-2-(4-nitrophenyl)vinyl]phenyl}amino)pentanoic acid	ChEBI

Citation	Type	Source
17089439	PubMed citation	Europe PMC

Last Modified

20 December 2016