EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:150878 - N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-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](O[C@@H]2[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2112h-1x_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2/a3-b1_b3-c1_b4-d1 |
| InChI | InChI=1S/C30H51N3O21/c1-8(38)31-15-21(44)18(41)11(4-34)49-28(15)52-24-14(7-37)51-30(54-26-20(43)13(6-36)48-27(47)23(26)46)17(33-10(3)40)25(24)53-29-16(32-9(2)39)22(45)19(42)12(5-35)50-29/h11-30,34-37,41-47H,4-7H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t11-,12-,13-,14-,15-,16-,17-,18+,19-,20+,21-,22-,23-,24+,25-,26+,27?,28+,29-,30+/m1/s1 |
| InChIKey | JJATUNWGOKJHRW-XESYPOLESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:150878) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-D-galacto-hexopyranose | SUBMITTER |
| GlcNAc(a1-3)[GalNAc(b1-4)]GalNAc(b1-3)Gal | SUBMITTER |