CHEBI:44939 - p-nitrobenzyl glutaryl glycinic acid

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ChEBI Name p-nitrobenzyl glutaryl glycinic acid
ChEBI ID CHEBI:44939
ChEBI ASCII Name p-nitrobenzyl glutaryl glycinic acid
Definition A glycine derivative in which a glycine core carries an N-{5-[(4-nitrobenzyl)amino]-5-oxopentanoyl} substituent.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H17N3O6
Net Charge 0
Average Mass 323.30130
Monoisotopic Mass 323.11174
InChI InChI=1S/C14H17N3O6/c18-12(2-1-3-13(19)16-9-14(20)21)15-8-10-4-6-11(7-5-10)17(22)23/h4-7H,1-3,8-9H2,(H,15,18)(H,16,19)(H,20,21)
InChIKey UCFVFUIGNWHAJJ-UHFFFAOYSA-N
SMILES OC(=O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O-])=O
Roles Classification
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.
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ChEBI Ontology
Outgoing p-nitrobenzyl glutaryl glycinic acid (CHEBI:44939) has functional parent glutaric acid (CHEBI:17859)
p-nitrobenzyl glutaryl glycinic acid (CHEBI:44939) has role epitope (CHEBI:53000)
p-nitrobenzyl glutaryl glycinic acid (CHEBI:44939) is a C-nitro compound (CHEBI:35716)
p-nitrobenzyl glutaryl glycinic acid (CHEBI:44939) is a glycine derivative (CHEBI:24373)
IUPAC Name
N-{5-[(4-nitrobenzyl)amino]-5-oxopentanoyl}glycine
Synonym Source
2-[[5-[(4-nitrophenyl)methylamino]-5-oxopentanoyl]amino]ethanoic acid PDB
Manual Xrefs Databases
1YEF PDB
DB08410 DrugBank
PNC PDBeChem
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Citation Waiting for Citations Type Source
9223277 PubMed citation Europe PMC
Last Modified
25 January 2017