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CHEBI:149144 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C30H51N3O21 |
| Net Charge | 0 |
| Average Mass | 789.738 |
| Monoisotopic Mass | 789.30151 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-2-3/a3-b1_a6-c1_c4-d1 |
| InChI | InChI=1S/C30H51N3O21/c1-8(37)31-15-21(43)18(40)11(4-34)50-29(15)54-26-17(33-10(3)39)27(47)49-14(20(26)42)7-48-28-16(32-9(2)38)22(44)25(13(6-36)52-28)53-30-24(46)23(45)19(41)12(5-35)51-30/h11-30,34-36,40-47H,4-7H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23+,24-,25-,26-,27?,28-,29+,30+/m1/s1 |
| InChIKey | AUOTWAKAURVMAG-QACZXECCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:149144) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose | SUBMITTER |
| Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]GalNAc | SUBMITTER |