EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H32O16 |
| Net Charge | 0 |
| Average Mass | 504.438 |
| Monoisotopic Mass | 504.16903 |
| SMILES | OC[C@H]1O[C@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a1122h-1a_1-5][a2112h-1b_1-5][a2122h-1a_1-5]/1-2-3/a6-b1_b6-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11+,12+,13+,14-,15-,16+,17+,18-/m1/s1 |
| InChIKey | FBJQEBRMDXPWNX-JBGHXDJDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CHEBI:150340) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| alpha-D-gluco-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranosyl-(1->6)-alpha-D-manno-hexopyranose | SUBMITTER |
| Glc(a1-6)Gal(b1-6)a-Man | SUBMITTER |
| Manual Xrefs | Databases |
|---|---|
| G35633EP | GlyTouCan |