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CHEBI:151905 - N-[(3R,4R,5R,6R)-4-[(3R,4R,5S,6R)-3-Acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C28H48N2O20 |
| Net Charge | 0 |
| Average Mass | 732.686 |
| Monoisotopic Mass | 732.28004 |
| SMILES | CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1OC1O[C@H](CO)[C@@H](O)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5]/1-2-3-4/a3-b1_b3-c1_c2-d1 |
| InChI | InChI=1S/C28H48N2O20/c1-7-15(36)19(40)21(42)27(44-7)50-24-20(41)16(37)10(4-31)47-28(24)49-23-14(30-9(3)35)26(46-12(6-33)18(23)39)48-22-13(29-8(2)34)25(43)45-11(5-32)17(22)38/h7,10-28,31-33,36-43H,4-6H2,1-3H3,(H,29,34)(H,30,35)/t7-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20-,21-,22+,23+,24+,25?,26?,27?,28?/m0/s1 |
| InChIKey | FABCCDZRYMJMQT-NJBYFWMISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3R,4R,5R,6R)-4-[(3R,4R,5S,6R)-3-Acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151905) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| Fuc(?1-2)Gal(?1-3)GlcNAc(?1-3)GalNAc | SUBMITTER |
| 6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose | SUBMITTER |