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CHEBI:151913 - N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
| Formula | C34H60N2O26 |
| Net Charge | 0 |
| Average Mass | 912.842 |
| Monoisotopic Mass | 912.34343 |
| SMILES | CC(=O)N[C@@H](CO)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)[C@@H](O)[C@H](O)COC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/3,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1x_1-5_2*NCC/3=O]/1-2-2-3-2/a3-b1_a6-d1_b3-c1_d4-e1 |
| InChI | InChI=1S/C34H60N2O26/c1-9(42)35-11(3-37)28(60-34-27(54)30(21(48)15(6-40)58-34)62-33-26(53)24(51)20(47)14(5-39)57-33)18(45)12(44)8-55-31-17(36-10(2)43)22(49)29(16(7-41)59-31)61-32-25(52)23(50)19(46)13(4-38)56-32/h11-34,37-41,44-54H,3-8H2,1-2H3,(H,35,42)(H,36,43)/t11-,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 | GRPWBNSAQUBRBA-RUSYCGGMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:151913) is a N-acyl-hexosamine (CHEBI:21656) |