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CHEBI:152187 - N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2,3,4,5,6-pentahydroxyhex-3-enoxy)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C34H58N2O25 |
| Net Charge | 0 |
| Average Mass | 894.827 |
| Monoisotopic Mass | 894.33287 |
| SMILES | CC(=O)N[C@H]1[C@H](OCC(O)C(O)=C(O)C(O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/5,5,4/[hxFFxh][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5/a6-b1_b4-c1_c2-d1_c3-e1 |
| InChI | InChI=1S/C34H58N2O25/c1-9-19(45)26(52)27(53)33(55-9)61-30-29(60-32-17(35-10(2)41)24(50)22(48)14(5-38)56-32)23(49)15(6-39)57-34(30)59-28-16(7-40)58-31(18(25(28)51)36-11(3)42)54-8-13(44)21(47)20(46)12(43)4-37/h9,12-19,22-34,37-40,43-53H,4-8H2,1-3H3,(H,35,41)(H,36,42)/t9-,12?,13?,14+,15+,16+,17+,18+,19+,22-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-/m0/s1 |
| InChIKey | NWJTVXCDRCNZNG-YRANURBPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2,3,4,5,6-pentahydroxyhex-3-enoxy)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152187) is a oligosaccharide (CHEBI:50699) |