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CHEBI:149717 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp(2−)

ChEBI IDCHEBI:149717
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp(2−)
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC48H77N3O37
Net Charge-2
Average Mass1288.128
Monoisotopic Mass1287.42469
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=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](O)CO)O4)[C@H]3O)[C@@H]2O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C48H79N3O37/c1-12(57)49-23-15(60)4-47(45(74)75,86-37(23)26(64)17(62)6-52)78-11-22-30(68)36(25(51-14(3)59)42(82-22)85-39-28(66)19(8-54)80-43(33(39)71)83-35-21(10-56)79-41(73)32(70)31(35)69)84-44-34(72)40(29(67)20(9-55)81-44)88-48(46(76)77)5-16(61)24(50-13(2)58)38(87-48)27(65)18(63)7-53/h15-44,52-56,60-73H,4-11H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)(H,74,75)(H,76,77)/p-2/t15-,16-,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-,47+,48-/m0/s1
InChIKeyFCIROHDMPFOSFG-LAVSNGQLSA-L
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp(2−) (CHEBI:149717) is a N-acetyl-α-neuraminyl-(2→6)-β-D-galactoside(1−) (CHEBI:136398)
Synonym  Source
N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-β-D-glucosamine-(1→3)-β-D-galactose-(1→4)-D-glucoseSUBMITTER
UniProt Name  Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-GlcUniProt