EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C84H138N6O62 |
| Net Charge | 0 |
| Average Mass (excl. R groups) | 2223.998 |
| Monoisotopic Mass (excl. R groups) | 2222.78301 |
| SMILES | [1*]OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO[2*])[C@@H](O[2*])[C@H](O[2*])[C@@H]3O[2*])[C@@H]2O)[C@@H](O[1*])[C@@H](O[1*])[C@@H]1O[1*] |
| WURCS | WURCS=2.0/6,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCC/3=O]/1-1-2-3-4-5-6-3-4-5-6/a4-b1_b4-c1_c3-d1_c6-h1_d?-e1_e?-f1_f?-g2_h?-i1_i?-j1_j?-k2 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GlyTouCan G42358LZ (CHEBI:156582) has functional parent GlyTouCan G22140GZ (CHEBI:156583) |
| GlyTouCan G42358LZ (CHEBI:156582) is a acetamides (CHEBI:22160) |
| GlyTouCan G42358LZ (CHEBI:156582) is a partially-defined glycan (CHEBI:146306) |
| GlyTouCan G42358LZ (CHEBI:156582) is a polysaccharide (CHEBI:18154) |