EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:40413 - 5-[(4-nitrobenzyl)(phosphonomethyl)amino]valeric acid
| Formula | C13H19N2O7P |
| Net Charge | 0 |
| Average Mass | 346.276 |
| Monoisotopic Mass | 346.09299 |
| SMILES | O=C(O)CCCCN(Cc1ccc([N+](=O)[O-])cc1)CP(=O)(O)O |
| InChI | InChI=1S/C13H19N2O7P/c16-13(17)3-1-2-8-14(10-23(20,21)22)9-11-4-6-12(7-5-11)15(18)19/h4-7H,1-3,8-10H2,(H,16,17)(H2,20,21,22) |
| InChIKey | RWVBLRUMXIXUAR-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) |
| 5-[(4-nitrobenzyl)(phosphonomethyl)amino]valeric acid (CHEBI:40413) has functional parent valeric acid (CHEBI:17418) |
| 5-[(4-nitrobenzyl)(phosphonomethyl)amino]valeric acid (CHEBI:40413) has role epitope (CHEBI:53000) |
| 5-[(4-nitrobenzyl)(phosphonomethyl)amino]valeric acid (CHEBI:40413) is a C-nitro compound (CHEBI:35716) |
| 5-[(4-nitrobenzyl)(phosphonomethyl)amino]valeric acid (CHEBI:40413) is a monocarboxylic acid (CHEBI:25384) |
| 5-[(4-nitrobenzyl)(phosphonomethyl)amino]valeric acid (CHEBI:40413) is a phosphonic acids (CHEBI:26069) |
| IUPAC Name |
|---|
| 5-[(4-nitrobenzyl)(phosphonomethyl)amino]pentanoic acid |
| Synonyms | Source |
|---|---|
| 1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID | PDBeChem |
| 5-[(4-nitrobenzyl)(phosphonomethyl)amino]pentanoic acid | PDBeChem |
| 5-[(4-nitrophenyl)methyl-(phosphonomethyl)amino]pentanoic acid | PDB |
| Citations |
|---|