EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H37NO16 |
| Net Charge | 0 |
| Average Mass | 547.507 |
| Monoisotopic Mass | 547.21123 |
| SMILES | CC(=O)N[C@H]1[C@H](O[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](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[h1122h][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b1_a5-c1 |
| InChI | InChI=1S/C20H37NO16/c1-6(26)21-11-15(31)12(28)8(3-23)34-19(11)35-10(5-25)14(30)18(7(27)2-22)37-20-17(33)16(32)13(29)9(4-24)36-20/h7-20,22-25,27-33H,2-5H2,1H3,(H,21,26)/t7-,8-,9-,10-,11-,12-,13+,14-,15-,16+,17-,18-,19+,20+/m1/s1 |
| InChIKey | TYILJUKSULHQPW-SKEFFZRVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:152765) is a N-acyl-hexosamine (CHEBI:21656) |
| Manual Xrefs | Databases |
|---|---|
| G63861JU | GlyTouCan |