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CHEBI:59762 - N-(5'-phosphonatopyridoxyl)-D-alaninate(2−)
| Formula | C11H15N2O7P |
| Net Charge | -2 |
| Average Mass | 318.222 |
| Monoisotopic Mass | 318.06278 |
| SMILES | Cc1[nH+]cc(COP(=O)([O-])[O-])c(C[NH2+][C@H](C)C(=O)[O-])c1[O-] |
| InChI | InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/p-2/t7-/m1/s1 |
| InChIKey | WACJCHFWJNNBPR-SSDOTTSWSA-L |
| Roles Classification |
|---|
| Biological Roles: | antigen Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC). 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-(5'-phosphonatopyridoxyl)-D-alaninate(2−) (CHEBI:59762) has role antigen (CHEBI:59132) |
| N-(5'-phosphonatopyridoxyl)-D-alaninate(2−) (CHEBI:59762) has role epitope (CHEBI:53000) |
| N-(5'-phosphonatopyridoxyl)-D-alaninate(2−) (CHEBI:59762) is a organophosphate oxoanion (CHEBI:58945) |
| N-(5'-phosphonatopyridoxyl)-D-alaninate(2−) (CHEBI:59762) is conjugate base of N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) |
| Incoming Relation(s) |
| N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is conjugate acid of N-(5'-phosphonatopyridoxyl)-D-alaninate(2−) (CHEBI:59762) |
| IUPAC Name |
|---|
| (2R)-2-[({2-methyl-3-oxido-5-[(phosphonatooxy)methyl]pyridinium-4-yl}methyl)azaniumyl]propanoate |
| Synonyms | Source |
|---|---|
| PPL-D-alanine anion | ChEBI |
| PPL-D-alanine(1−) | ChEBI |
| PPL-D-alanine | ChEBI |
| N-(5'-phosphonatopyridoxyl)-D-alaninate dianion | ChEBI |
| Citations |
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