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CHEBI:45002 - N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine
| Formula | C13H17N2O8P |
| Net Charge | 0 |
| Average Mass | 360.259 |
| Monoisotopic Mass | 360.07225 |
| SMILES | C[C@@H](NC(=O)CCCP(=O)(O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O |
| InChI | InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m1/s1 |
| InChIKey | KBXXIYHMPQZHCH-SECBINFHSA-N |
| Roles Classification |
|---|
| 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-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002) has role epitope (CHEBI:53000) |
| N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002) is a N-[4-(4-nitrophenylphospho)butanoyl]alanine (CHEBI:59566) |
| N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002) is a D-alanine derivative (CHEBI:83944) |
| N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002) is enantiomer of N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine (CHEBI:59565) |
| Incoming Relation(s) |
| N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine (CHEBI:59565) is enantiomer of N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002) |
| IUPAC Name |
|---|
| N-{4-[hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}-D-alanine |
| Synonyms | Source |
|---|---|
| N-[4-(4-nitrophenylphospho)butyryl]-D-alanine | ChEBI |
| p-nitrophenyl phosphonobutanoyl D-alanine | ChEBI |
| PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE | PDBeChem |
| Citations |
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