EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:153939 - (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

ChEBI IDCHEBI:153939
ChEBI Name(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-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](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2122h-1b_1-5][a2122h-1a_1-5]/1-2-2/a4-b1_b6-c1
InChIInChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16-,17+,18-/m1/s1
InChIKeyOWEGMIWEEQEYGQ-ASNDPZRISA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol (CHEBI:153939) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Glc(a1-6)Glc(a1-4)b-GlcSUBMITTER
alpha-D-gluco-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G75128XGGlyTouCan
G75128XGGlyGen