EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:146970 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C34H60N2O25 |
| Net Charge | 0 |
| Average Mass | 896.843 |
| Monoisotopic Mass | 896.34852 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4/a3-b1_a6-c1_c4-d1_d2-e1 |
| InChI | InChI=1S/C34H60N2O25/c1-9-18(44)23(49)26(52)32(55-9)61-30-25(51)21(47)15(6-39)57-34(30)60-29-16(7-40)58-31(17(22(29)48)36-11(3)42)54-8-13(43)19(45)28(12(4-37)35-10(2)41)59-33-27(53)24(50)20(46)14(5-38)56-33/h9,12-34,37-40,43-53H,4-8H2,1-3H3,(H,35,41)(H,36,42)/t9-,12-,13+,14+,15+,16+,17+,18+,19-,20-,21-,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34-/m0/s1 |
| InChIKey | UOGWWFOPDGPDAX-BYRCWZQMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:146970) is a oligosaccharide (CHEBI:50699) |