EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:147160 - α-D-Glcp-(1→3)-β-D-Glcp-(1→3)-β-D-Glcp-(1→3)-α-D-Glcp
| 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]3[C@@H](O)[C@H](O[C@@H]4[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]4O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/2,4,3/[a2122h-1a_1-5][a2122h-1b_1-5]/1-2-2-1/a3-b1_b3-c1_c3-d1 |
| InChI | InChI=1S/C24H42O21/c25-1-5-9(29)13(33)14(34)22(40-5)44-19-11(31)7(3-27)42-24(16(19)36)45-20-12(32)8(4-28)41-23(17(20)37)43-18-10(30)6(2-26)39-21(38)15(18)35/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 | OLBQXBHLZOAVSV-RHRDBCPHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Glcp-(1→3)-β-D-Glcp-(1→3)-β-D-Glcp-(1→3)-α-D-Glcp (CHEBI:147160) is a glucotetraose (CHEBI:147369) |
| α-D-Glcp-(1→3)-β-D-Glcp-(1→3)-β-D-Glcp-(1→3)-α-D-Glcp (CHEBI:147160) is a oligosaccharide (CHEBI:50699) |
| IUPAC Names |
|---|
| Glc(a1-3)Glc(b1-3)Glc(b1-3)a-Glc |
| α-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-α-D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-D-gluco-hexopyranosyl-(1→3)-β-D-gluco-hexopyranosyl-(1→3)-β-D-gluco-hexopyranosyl-(1→3)-α-D-gluco-hexopyranose | IUPAC |
| (2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol | IUPAC |