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CHEBI:87619 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-Glcp

ChEBI IDCHEBI:87619
ChEBI Nameα-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-Glcp
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)]-beta-D-Galp-(1->4)-D-Glcp
DefinitionA branched amino octasaccharide comprising a linear pentasaccharide chain of N-acetyl-α-neuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl and D-glucose residues linked sequentially (2→6), (1→4), (1→6) and (1→4), to the galactose residue nearer to the reducing end is also linked (1→3) a linear α-L-fucosyl-(1→2)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl trisaccharide unit.
Last Modified29 January 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC57H95N3O43
Net Charge0
Average Mass1510.365
Monoisotopic Mass1509.53393
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](NC(C)=O)[C@H](OC[C@H]4O[C@@H](O[C@H]5[C@H](O)[C@@H](O)C(O)O[C@@H]5CO)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/5,8,7/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4-3-2-5/a4-b1_b3-c1_b6-f1_c3-d1_d2-e1_f4-g1_g6-h2
InChIInChI=1S/C57H95N3O43/c1-13-28(71)35(78)40(83)52(91-13)102-48-37(80)30(73)19(7-62)94-55(48)100-45-27(60-16(4)68)51(93-20(8-63)32(45)75)101-47-33(76)23(96-54(42(47)85)99-44-21(9-64)92-49(86)39(82)38(44)81)11-89-50-26(59-15(3)67)34(77)43(22(10-65)95-50)98-53-41(84)36(79)31(74)24(97-53)12-90-57(56(87)88)5-17(69)25(58-14(2)66)46(103-57)29(72)18(70)6-61/h13,17-55,61-65,69-86H,5-12H2,1-4H3,(H,58,66)(H,59,67)(H,60,68)(H,87,88)/t13-,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+,46+,47-,48+,49?,50+,51-,52-,53-,54-,55-,57+/m0/s1
InChIKeyBWTHLLLJOUTXQZ-AQXRFYPJSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-Glcp (CHEBI:87619) is a amino octasaccharide (CHEBI:71060)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-D-Glcp (CHEBI:87619) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[α-L-fucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Synonyms  Source
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-[α-L-fucosyl-(1→2)-β-D-galactosyl-(→3)-N-acetyl-β-D-glucosaminyl-(1→3)]-β-D-galactosyl-(1→4)-D-glucoseIUPAC
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-[α-L-Fuc-(1→2)-β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)]-β-D-Gal-(1→4)-D-GlcChEBI
Neu5Aca2-6Galb1-4GlcNAcb1-6(Fuca1-2Galb1-3GlcNAcb1-3)Galb1-4GlcChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)]-O-β-D-galactopyranosyl-(1→4)-D-glucopyranoseChEBI
Manual XrefsDatabases
G52713HVGlyTouCan
G52713HVGlyGen
Citations