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CHEBI:16981 - O-(3-O-D-galactosyl-N-acetyl-β-D-galactosaminyl)-L-serine
| Formula | C17H30N2O13 |
| Net Charge | 0 |
| Average Mass | 470.428 |
| Monoisotopic Mass | 470.17479 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@H](N)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C17H30N2O13/c1-5(22)19-9-14(32-17-13(26)12(25)10(23)7(2-20)31-17)11(24)8(3-21)30-16(9)29-4-6(18)15(27)28/h6-14,16-17,20-21,23-26H,2-4,18H2,1H3,(H,19,22)(H,27,28)/t6-,7+,8+,9+,10-,11-,12-,13+,14+,16+,17?/m0/s1 |
| InChIKey | XDMCWZFLLGVIID-SXPRBRBTSA-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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| O-(3-O-D-galactosyl-N-acetyl-β-D-galactosaminyl)-L-serine (CHEBI:16981) is a O-glycosyl-L-serine (CHEBI:21957) |
| O-(3-O-D-galactosyl-N-acetyl-β-D-galactosaminyl)-L-serine (CHEBI:16981) is a non-proteinogenic L-α-amino acid (CHEBI:83822) |
| O-(3-O-D-galactosyl-N-acetyl-β-D-galactosaminyl)-L-serine (CHEBI:16981) is tautomer of O-(3-O-D-galactosyl-N-acetyl-β-D-galactosaminyl)-L-serine zwitterion (CHEBI:57974) |
| Incoming Relation(s) |
| O-(3-O-D-galactosyl-N-acetyl-β-D-galactosaminyl)-L-serine zwitterion (CHEBI:57974) is tautomer of O-(3-O-D-galactosyl-N-acetyl-β-D-galactosaminyl)-L-serine (CHEBI:16981) |
| IUPAC Name |
|---|
| (2S)-3-[D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyloxy]-2-aminopropanoic acid |
| Synonyms | Source |
|---|---|
| D-Galactosyl-3-(N-acetyl-beta-D-galactosaminyl)-L-serine | KEGG COMPOUND |
| (2S)-3-(2-acetamido-2-deoxy-3-O-D-galactopyranosyl-β-D-galactopyranosyloxy)-2-aminopropanoic acid | IUPAC |
| T antigen | KEGG COMPOUND |