EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:156820 - (2R,3S,4S,5S)-2-(Hydroxymethyl)-6-[[(2R,3R,4S,5S)-3,5,6-trihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

Default Structure
ChEBI IDCHEBI:156820
ChEBI Name(2R,3S,4S,5S)-2-(Hydroxymethyl)-6-[[(2R,3R,4S,5S)-3,5,6-trihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H32O16
Net Charge0
Average Mass504.438
Monoisotopic Mass504.16903
SMILESOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](COC3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)OC(O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a1122h-1x_1-5][a1122h-1a_1-5]/1-2-1/a3-b1_a6-c1
InChIInChI=1S/C18H32O16/c19-1-4-7(21)10(24)12(26)17(32-4)30-3-6-9(23)15(14(28)16(29)31-6)34-18-13(27)11(25)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16?,17?,18-/m1/s1
InChIKeyKJZMZIMBDAXZCX-MQRKGPQZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5S)-2-(Hydroxymethyl)-6-[[(2R,3R,4S,5S)-3,5,6-trihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol (CHEBI:156820) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
alpha-D-manno-hexopyranosyl-(1->3)-[D-manno-hexopyranosyl-(1->6)]-D-manno-hexopyranoseSUBMITTER
Man(a1-3)[Man(?1-6)]ManSUBMITTER
Manual XrefsDatabases
G17780ORGlyGen
G17780ORGlyTouCan