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CHEBI:154645 - (2S,3S,4R,5S,6S)-2-[(3R,4R,5R,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol

ChEBI IDCHEBI:154645
ChEBI Name(2S,3S,4R,5S,6S)-2-[(3R,4R,5R,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H62O29
Net Charge0
Average Mass958.863
Monoisotopic Mass958.33768
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](OC[C@H]3O[C@H](O[C@H]4[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)C(O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,6,5/[a2122h-1x_1-5][a1221m-1a_1-5][a2112h-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-3/a3-b1_a4-c1_c6-d1_d2-e1_d3-f1
InChIInChI=1S/C36H62O29/c1-7-13(40)18(45)22(49)32(56-7)64-29-26(53)31(54)58-11(5-39)27(29)62-35-25(52)21(48)16(43)12(61-35)6-55-36-30(65-33-23(50)19(46)14(41)8(2)57-33)28(17(44)10(4-38)60-36)63-34-24(51)20(47)15(42)9(3-37)59-34/h7-54H,3-6H2,1-2H3/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+/m0/s1
InChIKeyLJKREIQFUHSFOH-IVLQIOPWSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R,5S,6S)-2-[(3R,4R,5R,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol (CHEBI:154645) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Fuc(a1-2)[Gal(a1-3)]Gal(b1-6)Gal(a1-4)[Fuc(a1-3)]GlcSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->6)-alpha-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G89575QCGlyTouCan
G89575QCGlyGen