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CHEBI:62329 - [6)-α-D-Glcp-(1→4)-α-D-NeupAc-(2→]3

ChEBI IDCHEBI:62329
ChEBI Name[6)-α-D-Glcp-(1→4)-α-D-NeupAc-(2→]3
Stars
ASCII Name[6)-alpha-D-Glcp-(1->4)-alpha-D-NeupAc-(2->]3
DefinitionAn amino hexasaccharide made up of three units of α-D-Glcp-(1→4)-α-D-NeupAc, joined together by glycosidic linkages between position 2 of the N-acetylneuraminyl residues and position 6 of the glucosyl residues.
Last Modified15 June 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC51H83N3O40
Net Charge0
Average Mass1378.206
Monoisotopic Mass1377.45528
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](O[C@H]3C[C@](OC[C@H]4O[C@H](O[C@H]5C[C@](O)(C(=O)O)O[C@@]([H])([C@H](O)[C@H](O)CO)[C@@H]5NC(C)=O)[C@H](O)[C@@H](O)[C@@H]4O)(C(=O)O)O[C@@]([H])([C@H](O)[C@H](O)CO)[C@@H]3NC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)(C(=O)O)C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O
InChIInChI=1S/C51H83N3O40/c1-13(59)52-25-19(4-49(83,46(77)78)92-40(25)28(65)16(62)7-55)86-44-38(75)35(72)32(69)23(90-44)11-84-51(48(81)82)6-21(27(54-15(3)61)42(94-51)30(67)18(64)9-57)88-45-39(76)36(73)33(70)24(91-45)12-85-50(47(79)80)5-20(87-43-37(74)34(71)31(68)22(10-58)89-43)26(53-14(2)60)41(93-50)29(66)17(63)8-56/h16-45,55-58,62-76,83H,4-12H2,1-3H3,(H,52,59)(H,53,60)(H,54,61)(H,77,78)(H,79,80)(H,81,82)/t16-,17-,18-,19+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,42-,43+,44+,45+,49-,50-,51-/m1/s1
InChIKeyCLMXUBZDKZXNRQ-ZQCGYBDTSA-N
ChEBI Ontology
Outgoing Relation(s)
[6)-α-D-Glcp-(1→4)-α-D-NeupAc-(2→]3 (CHEBI:62329) is a amino hexasaccharide (CHEBI:61855)
IUPAC Name 
α-D-glucopyranosyl-(1→4)-(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2→6)-α-D-glucopyranosyl-(1→4)-(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2→6)-α-D-glucopyranosyl-(1→4)-(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosonic acid
Synonyms  Source
α-D-glucopyranosyl-(1→4)-(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2→6)-α-D-glucopyranosyl-(1→4)-(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2→6)-α-D-glucopyranosyl-(1→4)-(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosonic acidIUPAC
[6)-α-D-Glc-(1→4)-α-D-NeuAc-(2→]3ChEBI
[→6)-α-D-Glcp-(1→4)-α-D-NeupAc-(2→]3ChEBI
[→6)-α-D-Glc-(1→4)-α-D-NeuAc-(2→]3ChEBI
α-D-Glc-(1→4)-α-D-NeuAc-(2→6)-α-D-Glc-(1→4)-α-D-NeuAc-(2→6)-α-D-Glc-(1→4)-α-D-NeuAcChEBI
α-D-Glcp-(1→4)-α-D-NeupAc-(2→6)-α-D-Glcp-(1→4)-α-D-NeupAc-(2→6)-α-D-Glcp-(1→4)-α-D-NeupAcChEBI
Citations