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CHEBI:53609 - O-(N-acetyl-α-D-galactosaminyl)-L-threonine
| Formula | C12H22N2O8 |
| Net Charge | 0 |
| Average Mass | 322.314 |
| Monoisotopic Mass | 322.13762 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](N)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O |
| InChI | InChI=1S/C12H22N2O8/c1-4(7(13)11(19)20)21-12-8(14-5(2)16)10(18)9(17)6(3-15)22-12/h4,6-10,12,15,17-18H,3,13H2,1-2H3,(H,14,16)(H,19,20)/t4-,6-,7+,8-,9+,10-,12+/m1/s1 |
| InChIKey | KUIFHYPNNRVEKZ-VIJRYAKMSA-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: | tumour antigen An antigenic substance produced in tumour cells, which triggers an immune response in the host. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| O-(N-acetyl-α-D-galactosaminyl)-L-threonine (CHEBI:53609) has role tumour antigen (CHEBI:144829) |
| O-(N-acetyl-α-D-galactosaminyl)-L-threonine (CHEBI:53609) is a L-threonine derivative (CHEBI:84189) |
| O-(N-acetyl-α-D-galactosaminyl)-L-threonine (CHEBI:53609) is a non-proteinogenic L-α-amino acid (CHEBI:83822) |
| Incoming Relation(s) |
| O-(N-acetyl-α-D-galactosaminyl)-L-threonine residue (CHEBI:87075) is substituent group from O-(N-acetyl-α-D-galactosaminyl)-L-threonine (CHEBI:53609) |
| O-(N-acetyl-α-D-galactosaminyl)-L-threonino group (CHEBI:73230) is substituent group from O-(N-acetyl-α-D-galactosaminyl)-L-threonine (CHEBI:53609) |
| IUPAC Name |
|---|
| O-(2-acetamido-2-deoxy-α-D-galactopyranosyl)-L-threonine |
| Synonyms | Source |
|---|---|
| GalNAc(α1→O)Thr | JCBN |
| 3-O-(2-acetamido-2-deoxy-α-D-galactopyranosyl)-L-threonine | ChEBI |
| Tn antigen | ChEBI |
| α-D-GalNAc-Thr | ChEBI |
| GalNac-α-1-O-threonine | ChEBI |
| N-acetyl-α-D-galactosaminyl-1-O-threonine | ChEBI |
| Citations |
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