EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:148047 - (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

ChEBI IDCHEBI:148047
ChEBI Name(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H62O31
Net Charge0
Average Mass990.861
Monoisotopic Mass990.32751
SMILESOC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC[C@H]4O[C@H](O)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@H](O)[C@@H](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
WURCSWURCS=2.0/2,6,5/[a2122h-1a_1-5][a2122h-1b_1-5]/1-2-2-2-2-2/a3-b1_a6-c1_c6-d1_d3-e1_d6-f1
InChIInChI=1S/C36H62O31/c37-1-7-13(40)19(46)23(50)32(61-7)58-6-12-18(45)30(67-36-26(53)21(48)15(42)9(3-39)63-36)28(55)34(65-12)59-4-10-16(43)22(49)24(51)33(64-10)57-5-11-17(44)29(27(54)31(56)60-11)66-35-25(52)20(47)14(41)8(2-38)62-35/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+/m1/s1
InChIKeyHLTVODPBAPHPST-ZDXFVUQUSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:148047) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Glc(b1-3)[Glc(b1-6)]Glc(b1-6)Glc(b1-6)[Glc(b1-3)]a-GlcSUBMITTER
beta-D-gluco-hexopyranosyl-(1->3)-[beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-gluco-hexopyranosyl-(1->6)-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-gluco-hexopyranosyl-(1->3)]-alpha-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G13228QBGlyTouCan
G13228QBGlyGen