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CHEBI:172921 - α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-D-Glcp

ChEBI IDCHEBI:172921
ChEBI Nameα-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-D-Glcp
Stars
ASCII Namealpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-D-Glcp
DefinitionA branched amino heptasaccharide consisting of three sialyl residues, two galactose residues, one N-acetylglucosamine and a glucose residue at the reducing end.
Last Modified17 May 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC59H96N4O45
Net Charge0
Average Mass1581.400
Monoisotopic Mass1580.53466
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@@H](CO)O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O5)O4)[C@H]3O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C59H96N4O45/c1-15(71)60-29-19(75)5-57(54(90)91,104-45(29)33(80)22(78)8-64)103-26(12-68)37(84)47-31(62-17(3)73)21(77)6-58(106-47,55(92)93)107-48-36(83)25(11-67)98-52(40(48)87)102-44-32(63-18(4)74)51(97-24(10-66)35(44)82)101-43-28(14-70)99-53(100-42-27(13-69)96-50(89)39(86)38(42)85)41(88)49(43)108-59(56(94)95)7-20(76)30(61-16(2)72)46(105-59)34(81)23(79)9-65/h19-53,64-70,75-89H,5-14H2,1-4H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,90,91)(H,92,93)(H,94,95)/t19-,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+,46+,47+,48-,49+,50?,51-,52-,53-,57+,58-,59-/m0/s1
InChIKeyNQOVJZWEOYBBET-XZLAJNNWSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-D-Glcp (CHEBI:172921) is a amino heptasaccharide (CHEBI:70970)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-D-Glcp (CHEBI:172921) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:59215) is a α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-D-Glcp (CHEBI:172921)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Synonyms  Source
Neu5Acα2-8Neu5Acα2-3Galβ1-3GalNAcβ1-4(Neu5Acα2-3)Galβ1-4GlcChEBI
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-GlcChEBI
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-D-GlcChEBI
Citations