EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:150439 - (2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-4-[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Formula | C30H52O26 |
| Net Charge | 0 |
| Average Mass | 828.720 |
| Monoisotopic Mass | 828.27468 |
| SMILES | OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)OC(O)[C@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/2,5,4/[a1122h-1x_1-5][a1122h-1a_1-5]/1-2-2-2-2/a3-b1_a6-e1_b3-c1_b6-d1 |
| InChI | InChI=1S/C30H52O26/c31-1-6-11(34)16(39)19(42)27(51-6)48-4-9-14(37)24(22(45)26(47)50-9)55-30-23(46)25(56-29-21(44)18(41)13(36)8(3-33)53-29)15(38)10(54-30)5-49-28-20(43)17(40)12(35)7(2-32)52-28/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26?,27+,28+,29-,30-/m1/s1 |
| InChIKey | WWUJGGJCFLFLCU-AXCHSLTKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-4-[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:150439) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-D-manno-hexopyranose | SUBMITTER |
| Man(a1-3)[Man(a1-6)]Man(a1-3)[Man(a1-6)]Man | SUBMITTER |