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](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/1,3,2/[a1122h-1a_1-5]/1-1-1/a2-b1_a6-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)17(32-4)30-3-6-9(23)12(26)15(16(29)31-6)34-18-14(28)11(25)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17+,18-/m1/s1 |
| InChIKey | SQSMTPZRZXIOMR-XNRWUJQLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3S,4S,5S,6S)-2-(Hydroxymethyl)-6-[[(2R,3S,4S,5S,6S)-3,4,6-trihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol (CHEBI:152496) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| Man(a1-2)[Man(a1-6)]a-Man | SUBMITTER |
| alpha-D-manno-hexopyranosyl-(1->2)-[alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranose | SUBMITTER |