CHEBI:63748 - N-[4-(4-nitrobenzylphosphono)butanoyl]glycine

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ChEBI Name N-[4-(4-nitrobenzylphosphono)butanoyl]glycine
ChEBI ID CHEBI:63748
ChEBI ASCII Name N-[4-(4-nitrobenzylphosphono)butanoyl]glycine
Definition An N-acylglycine whose structure comprises a glycine core carrying an N-(4-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}butanoyl) substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45178
Supplier Information
Download Molfile XML SDF
Formula C13H17N2O8P
Net Charge 0
Average Mass 360.25640
Monoisotopic Mass 360.07225
InChI InChI=1S/C13H17N2O8P/c16-12(14-8-13(17)18)2-1-7-24(21,22)23-9-10-3-5-11(6-4-10)15(19)20/h3-6H,1-2,7-9H2,(H,14,16)(H,17,18)(H,21,22)
InChIKey LNMNPGKCSJFAGN-UHFFFAOYSA-N
SMILES OC(=O)CNC(=O)CCCP(O)(=O)OCc1ccc(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[4-(4-nitrobenzylphosphono)butanoyl]glycine (CHEBI:63748) is a C-nitro compound (CHEBI:35716)
N-[4-(4-nitrobenzylphosphono)butanoyl]glycine (CHEBI:63748) is a N-acylglycine (CHEBI:16180)
N-[4-(4-nitrobenzylphosphono)butanoyl]glycine (CHEBI:63748) is a organic phosphonate (CHEBI:37592)
IUPAC Name
N-(4-{hydroxy[(4-nitrophenyl)methoxy]phosphoryl}butanoyl)glycine
Synonyms Sources
4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE PDBeChem
4-nitrobenzyl 4-[(carboxymethyl)amino]-4-oxobutylphosphonate ChEBI
N-(4-{(S)-hydroxy[(4-nitrobenzyl)oxy]phosphoryl}butanoyl)glycine PDBeChem
N-(4-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}butanoyl)glycine IUPAC
nB-P ChEBI
Manual Xref Database
PNB PDBeChem
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Citations Waiting for Citations Types Sources
21900247 PubMed citation Europe PMC
9223277 PubMed citation Europe PMC
9826512 PubMed citation Europe PMC
Last Modified
15 November 2021