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CHEBI:44743 - N-(5'-phosphopyridoxyl)-D-alanine
| Formula | C11H17N2O7P |
| Net Charge | 0 |
| Average Mass | 320.238 |
| Monoisotopic Mass | 320.07734 |
| SMILES | Cc1ncc(COP(=O)(O)O)c(CN[C@H](C)C(=O)O)c1O |
| 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)/t7-/m1/s1 |
| InChIKey | WACJCHFWJNNBPR-SSDOTTSWSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). 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-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) has functional parent pyridoxal (CHEBI:17310) |
| N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) has role epitope (CHEBI:53000) |
| N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is a D-alanine derivative (CHEBI:83944) |
| N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is a D-α-amino acid (CHEBI:16733) |
| N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is a monohydroxypyridine (CHEBI:38182) |
| N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is a phosphate monoester (CHEBI:7794) |
| N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is conjugate acid of N-(5'-phosphonatopyridoxyl)-D-alaninate(2−) (CHEBI:59762) |
| N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is enantiomer of N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) |
| Incoming Relation(s) |
| N-(5'-phosphonatopyridoxyl)-D-alaninate(2−) (CHEBI:59762) is conjugate base of N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) |
| N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) is enantiomer of N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) |
| IUPAC Name |
|---|
| N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-alanine |
| Citations |
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