EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H42O21 |
| Net Charge | 0 |
| Average Mass | 666.579 |
| Monoisotopic Mass | 666.22186 |
| SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/2,4,3/[a2122h-1a_1-5][a2122h-1b_1-5]/1-1-2-2/a1-b1_b6-c1_c4-d1 |
| InChI | InChI=1S/C24H42O21/c25-1-5-9(28)12(31)16(35)22(40-5)44-20-7(3-27)42-21(19(38)15(20)34)39-4-8-11(30)14(33)18(37)24(43-8)45-23-17(36)13(32)10(29)6(2-26)41-23/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-/m1/s1 |
| InChIKey | FIUANRLWLFOBPJ-MOAGCNHMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:155348) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| Glc(b1-4)Glc(b1-6)Glc(a1-1a)Glc | SUBMITTER |
| alpha-D-gluco-hexopyranosyl beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranoside | SUBMITTER |