EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H42O20 |
| Net Charge | 0 |
| Average Mass | 650.580 |
| Monoisotopic Mass | 650.22694 |
| SMILES | C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a1221m-1a_1-5]/1-2-3-4/a4-b1_b4-c1_c4-d1 |
| InChI | InChI=1S/C24H42O20/c1-5-9(28)10(29)15(34)22(38-5)42-19-7(3-26)40-24(16(35)12(19)31)44-20-8(4-27)41-23(17(36)13(20)32)43-18-6(2-25)39-21(37)14(33)11(18)30/h5-37H,2-4H2,1H3/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15-,16+,17+,18+,19-,20-,21+,22-,23-,24+/m0/s1 |
| InChIKey | OGBMKDSKLAKQDU-IUICBKENSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4R,5S,6S)-2-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CHEBI:148603) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose | SUBMITTER |
| Fuc(a1-4)Gal(a1-4)Gal(b1-4)b-Glc | SUBMITTER |