EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:148783 - (2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-4-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-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](O[C@@H]2[C@@H](OC[C@H]3OC(O)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)O[C@H](CO)[C@@H](O)[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-d1_b2-c1_d2-e1 |
| InChI | InChI=1S/C30H52O26/c31-1-6-11(35)16(40)20(44)27(50-6)55-24-18(42)13(37)8(3-33)52-29(24)48-5-10-15(39)23(22(46)26(47)49-10)54-30-25(19(43)14(38)9(4-34)53-30)56-28-21(45)17(41)12(36)7(2-32)51-28/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 | VCHNFIGKPMCKQS-UTSNXQORSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-4-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:148783) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man | SUBMITTER |
| alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-D-manno-hexopyranose | SUBMITTER |