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](O[C@@H]2[C@H](O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2/a2-b1_b3-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4-8(23)11(26)15(16(29)30-4)34-18-13(28)14(9(24)6(3-21)32-18)33-17-12(27)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+/m1/s1 |
| InChIKey | LHAOFBCHXGZGOR-QBXVGYQZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Manp-(1→3)-β-D-Manp-(1→2)-β-D-Manp (CHEBI:148917) has functional parent α-D-Manp-(1→3)-β-D-Manp (CHEBI:147216) |
| α-D-Manp-(1→3)-β-D-Manp-(1→2)-β-D-Manp (CHEBI:148917) has functional parent β-D-Manp-(1→2)-β-D-Manp (CHEBI:144363) |
| α-D-Manp-(1→3)-β-D-Manp-(1→2)-β-D-Manp (CHEBI:148917) is a mannotriose (CHEBI:146181) |
| IUPAC Names |
|---|
| Man(a1-3)Man(b1-2)b-Man |
| α-D-mannopyranosyl-(1→3)-β-D-mannopyranosyl-(1→2)-β-D-mannopyranose |
| Synonyms | Source |
|---|---|
| α-D-manno-hexopyranosyl-(1→3)-β-D-manno-hexopyranosyl-(1→2)-β-D-manno-hexopyranose | IUPAC |
| (2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol | IUPAC |