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CHEBI:44930 - N-(p-nitrophenylphosphobutanoyl)glycine

ChEBI IDCHEBI:44930
ChEBI NameN-(p-nitrophenylphosphobutanoyl)glycine
Stars
ASCII NameN-(p-nitrophenylphosphobutanoyl)glycine
DefinitionA C-nitro compound that is the N-(p-nitrophenylphosphobutyryl) derivative of glycine; a cognate transition state analogue of the esterase-like catalytic antibody D2.3.
Last Modified12 March 2018
DownloadsMolfile
FormulaC12H15N2O8P
Net Charge0
Average Mass346.232
Monoisotopic Mass346.05660
SMILESO=C(O)CNC(=O)CCCP(=O)(O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N2O8P/c15-11(13-8-12(16)17)2-1-7-23(20,21)22-10-5-3-9(4-6-10)14(18)19/h3-6H,1-2,7-8H2,(H,13,15)(H,16,17)(H,20,21)
InChIKeyWLNKGRQBMNPVSJ-UHFFFAOYSA-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)
N-(p-nitrophenylphosphobutanoyl)glycine (CHEBI:44930) has role epitope (CHEBI:53000)
N-(p-nitrophenylphosphobutanoyl)glycine (CHEBI:44930) is a C-nitro compound (CHEBI:35716)
N-(p-nitrophenylphosphobutanoyl)glycine (CHEBI:44930) is a N-acylglycine (CHEBI:16180)
N-(p-nitrophenylphosphobutanoyl)glycine (CHEBI:44930) is a phosphonic ester (CHEBI:37735)
IUPAC Name 
N-{4-[hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}glycine
Synonyms  Source
N-[4-(4-nitrophenylphospho)butanoyl]glycineChEBI
4-nitrophenylphosphobutanoyl-glycineChEBI
Manual XrefsDatabases
PGGPDBeChem
1YEIPDB
Registry NumbersSources
Reaxys:6350644Reaxys
Citations