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CHEBI:167517 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→3)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:167517
ChEBI Nameα-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→3)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-{alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
DefinitionA branched amino oligosaccharide comprising a linear trisaccharide of β-D-mannose and two N-acetyl-β-D-glucosamine residues all linked in sequence (1→4), to the mannosyl residue of which is (1→4)-linked an N-acetyl-β-D-glucosaminyl residue, together with an N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl tetrasaccharide unit linked (1→6) and an N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-[N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)]-α-D-mannosyl unit linked (1→3).
Last Modified18 February 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC117H191N9O85
Net Charge0
Average Mass3083.793
Monoisotopic Mass3082.08999
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](O[C@@H]4[C@@H](O[C@@H]5[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]7[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@H](CO[C@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO[C@]9(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O9)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H](O)[C@@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[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
InChIInChI=1S/C117H191N9O85/c1-28(138)118-55-37(147)10-115(112(177)178,209-95(55)64(153)40(150)13-127)184-25-51-68(157)77(166)81(170)107(195-51)202-88-45(18-132)190-103(61(73(88)162)124-34(7)144)200-92-49(22-136)193-106(84(173)80(92)169)183-24-54-94(206-101-59(122-32(5)142)71(160)67(156)43(16-130)188-101)98(86(175)110(198-54)205-91-48(21-135)189-102(60(75(91)164)123-33(6)143)199-87-44(17-131)187-100(176)58(72(87)161)121-31(4)141)207-111-99(208-105-63(126-36(9)146)76(165)90(47(20-134)192-105)204-109-83(172)79(168)70(159)53(197-109)27-186-117(114(181)182)12-39(149)57(120-30(3)140)97(211-117)66(155)42(152)15-129)85(174)93(50(23-137)194-111)201-104-62(125-35(8)145)74(163)89(46(19-133)191-104)203-108-82(171)78(167)69(158)52(196-108)26-185-116(113(179)180)11-38(148)56(119-29(2)139)96(210-116)65(154)41(151)14-128/h37-111,127-137,147-176H,10-27H2,1-9H3,(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,177,178)(H,179,180)(H,181,182)/t37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68-,69-,70-,71+,72+,73+,74+,75+,76+,77-,78-,79-,80+,81+,82+,83+,84-,85-,86-,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111+,115+,116+,117+/m0/s1
InChIKeyBCVGUVVIGAPLJA-QPVQWMGDSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→3)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:167517) is a amino oligosaccharide (CHEBI:22483)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→3)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:167517) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[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→2)-[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→4)]-α-D-mannopyranosyl-(1→3)]-[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→4)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
Neu5Aca2-6Galb1-4GlcNAcb1-4Mana1-6(GlcNAcb1-4)(Neu5Aca2-6Galb1-4GlcNAcb1-4(Neu5Aca2-6Galb1-4GlcNAcb1-2)Mana1-3)Manb1-4GlcNAcb1-4GlcNAcbChEBI
Neu5Acα2-6Galβ1-4GlcNAcβ1-4Manα1-6(GlcNAcβ1-4)(Neu5Acα2-6Galβ1-4GlcNAcβ1-4(Neu5Acα2-6Galβ1-4GlcNAcβ1-2)Manα1-3)Manβ1-4GlcNAcβ1-4GlcNAcβChEBI
N-acetyl-β-D-glucosaminyl-(1→4)-[N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-[N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)]-α-D-mannosyl-(1→3)]-[N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)-[β-D-GlcNAc-(1→4)]-{α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→4)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)]-α-D-Man-(1→3)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAcChEBI
Citations