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CHEBI:63748 - N-[4-(4-nitrobenzylphosphono)butanoyl]glycine
| Formula | C13H17N2O8P |
| Net Charge | 0 |
| Average Mass | 360.259 |
| Monoisotopic Mass | 360.07225 |
| SMILES | O=C(O)CNC(=O)CCCP(=O)(O)OCc1ccc([N+](=O)[O-])cc1 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| 4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE | PDBeChem |
| N-(4-{(S)-hydroxy[(4-nitrobenzyl)oxy]phosphoryl}butanoyl)glycine | PDBeChem |
| 4-nitrobenzyl 4-[(carboxymethyl)amino]-4-oxobutylphosphonate | ChEBI |
| N-(4-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}butanoyl)glycine | IUPAC |
| nB-P | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| PNB | PDBeChem |
| Citations |
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