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CHEBI:147033 - N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C27H46N2O20 |
| Net Charge | 0 |
| Average Mass | 718.659 |
| Monoisotopic Mass | 718.26439 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1b_1-5]/1-2-3-4/a4-b1_b4-c1_c2-d1 |
| InChI | InChI=1S/C27H46N2O20/c1-7(33)28-13-17(38)21(11(4-31)44-24(13)42)47-25-14(29-8(2)34)18(39)22(12(5-32)46-25)48-27-23(19(40)16(37)10(3-30)45-27)49-26-20(41)15(36)9(35)6-43-26/h9-27,30-32,35-42H,3-6H2,1-2H3,(H,28,33)(H,29,34)/t9-,10-,11-,12-,13-,14-,15+,16-,17-,18-,19+,20-,21-,22-,23+,24?,25+,26+,27+/m1/s1 |
| InChIKey | ULGMUMACQPEKSN-UXMHSTAZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:147033) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| beta-D-xylo-pentopyranosyl-(1->2)-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose | SUBMITTER |
| Xyl(b1-2)Man(b1-4)GlcNAc(b1-4)GlcNAc | SUBMITTER |