EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H44O21 |
| Net Charge | 0 |
| Average Mass | 668.595 |
| Monoisotopic Mass | 668.23751 |
| SMILES | OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H]1O |
| WURCS | WURCS=2.0/4,4,3/[h2122h][a2122h-1b_1-5][a1122h-1a_1-5][a2112h-1a_1-5]/1-2-3-4/a6-b1_b3-c1_c3-d1 |
| InChI | InChI=1S/C24H44O21/c25-1-6(29)11(31)12(32)7(30)5-40-22-18(38)20(14(34)9(3-27)41-22)45-24-19(39)21(15(35)10(4-28)43-24)44-23-17(37)16(36)13(33)8(2-26)42-23/h6-39H,1-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23+,24+/m0/s1 |
| InChIKey | HOAAPCSBMFHIIZ-FYBVSFODSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4R,5R)-6-[(2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol (CHEBI:152508) is a oligosaccharide (CHEBI:50699) |
| Manual Xrefs | Databases |
|---|---|
| G59734VX | GlyTouCan |