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CHEBI:153238 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-N-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
| Formula | C32H55N3O23 |
| Net Charge | 0 |
| Average Mass | 849.790 |
| Monoisotopic Mass | 849.32264 |
| SMILES | CNC(=O)[C@@]1(O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1 |
| WURCS | WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_1*NC_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b3-c2_b4-d1 |
| InChI | InChI=1S/C32H55N3O23/c1-9(40)34-16-11(42)4-32(31(51)33-3,57-26(16)18(44)12(43)5-36)58-27-23(49)30(55-24-14(7-38)52-28(50)22(48)21(24)47)54-15(8-39)25(27)56-29-17(35-10(2)41)20(46)19(45)13(6-37)53-29/h11-30,36-39,42-50H,4-8H2,1-3H3,(H,33,51)(H,34,40)(H,35,41)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25-,26+,27+,28+,29-,30-,32-/m0/s1 |
| InChIKey | TYABVJBQUUUSPN-RJQUWBHESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-N-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide (CHEBI:153238) is a amino sugar (CHEBI:28963) |