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CHEBI:153749 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-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]2O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)OC(O)[C@@H]3NC(C)=O)[C@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3/a3-b1_a6-d1_b6-c1 |
| InChI | InChI=1S/C30H51N3O21/c1-8(36)31-15-22(43)18(39)11(4-34)51-28(15)48-6-13-20(41)24(45)25(46)30(53-13)54-26-17(33-10(3)38)27(47)50-14(21(26)42)7-49-29-16(32-9(2)37)23(44)19(40)12(5-35)52-29/h11-30,34-35,39-47H,4-7H2,1-3H3,(H,31,36)(H,32,37)(H,33,38)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27?,28-,29-,30+/m1/s1 |
| InChIKey | HOAUJMVLFNBOJQ-MHJYEJOASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153749) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| GlcNAc(b1-6)Gal(b1-3)[GlcNAc(b1-6)]GalNAc | SUBMITTER |
| 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose | SUBMITTER |