EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C36H62O31 |
| Net Charge | 0 |
| Average Mass | 990.861 |
| Monoisotopic Mass | 990.32751 |
| SMILES | OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](OC[C@H]4O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6CO)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/2,6,5/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2-2-2-2/a4-b1_b4-c1_c6-d1_d4-e1_e6-f1 |
| InChI | InChI=1S/C36H62O31/c37-1-7-13(41)16(44)23(51)32(60-7)57-5-11-14(42)17(45)24(52)34(63-11)66-29-9(3-39)61-33(26(54)20(29)48)58-6-12-15(43)18(46)25(53)35(64-12)67-30-10(4-40)62-36(27(55)21(30)49)65-28-8(2-38)59-31(56)22(50)19(28)47/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32+,33+,34-,35-,36-/m1/s1 |
| InChIKey | ZQYBDVVVHXINSB-NQHPHNMCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:150795) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| Glc(a1-6)Glc(a1-4)Glc(a1-6)Glc(a1-4)Glc(a1-4)Glc | SUBMITTER |
| alpha-D-gluco-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranosyl-(1->4)-alpha-D-gluco-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranosyl-(1->4)-alpha-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranose | SUBMITTER |