EMBL-EBI | Chemical Biology | ChEBI
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| 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](O[C@H]3[C@H](O)[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]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/1,4,3/[a2122h-1a_1-5]/1-1-1-1/a3-b1_b4-c1_c4-d1 |
| InChI | InChI=1S/C24H42O21/c25-1-5-9(29)11(31)14(34)22(40-5)43-18-7(3-27)41-23(15(35)12(18)32)44-19-8(4-28)42-24(16(36)13(19)33)45-20-10(30)6(2-26)39-21(38)17(20)37/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 | ICOUDMDOPFFASW-UYDQPWALSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Glcp-(1→4)-α-D-Glcp-(1→4)-α-D-Glcp-(1→3)-α-D-Glcp (CHEBI:147103) is a glucotetraose (CHEBI:147369) |
| IUPAC Names |
|---|
| Glc(a1-4)Glc(a1-4)Glc(a1-3)a-Glc |
| α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→3)-α-D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-D-gluco-hexopyranosyl-(1→4)-α-D-gluco-hexopyranosyl-(1→4)-α-D-gluco-hexopyranosyl-(1→3)-α-D-gluco-hexopyranose | IUPAC |
| (2S,3R,4S,5R,6R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol | IUPAC |