EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:148710 - (3R,4S,5S,6R)-3-[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol

ChEBI IDCHEBI:148710
ChEBI Name(3R,4S,5S,6R)-3-[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H42O21
Net Charge0
Average Mass666.579
Monoisotopic Mass666.22186
SMILESOC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@@H](O[C@H]4C(O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,4,3/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2-2/a2-b1_b3-c1_c6-d1
InChIInChI=1S/C24H42O21/c25-1-5-10(29)15(34)20(21(38)40-5)45-24-18(37)19(12(31)7(3-27)42-24)44-23-17(36)14(33)11(30)8(43-23)4-39-22-16(35)13(32)9(28)6(2-26)41-22/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19+,20-,21?,22+,23-,24-/m1/s1
InChIKeyACIKETTUINGZJX-KCEFJUJGSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4S,5S,6R)-3-[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (CHEBI:148710) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Glc(a1-6)Glc(a1-3)Glc(a1-2)GlcSUBMITTER
alpha-D-gluco-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranosyl-(1->3)-alpha-D-gluco-hexopyranosyl-(1->2)-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G29470MAGlyTouCan
G29470MAGlyGen