beta-D-GlcpNAc-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->3)]-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc (CHEBI:87624)

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CHEBI:87624 - β-D-GlcpNAc-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)]-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI ID	CHEBI:87624
ChEBI Name	β-D-GlcpNAc-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)]-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Name	beta-D-GlcpNAc-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->3)]-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
Definition	A branched amino oligosaccharide that is a pentasaccharide 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 are linked an N-acetyl-β-D-glucosaminyl residue [via a (1→4) linkage], an N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-α-D-mannosyl(1→6) linear tetrasaccharide chain [linked (1→6)], and an N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)]-α-D-mannosyl branched heptasaccharide unit [linked (1→3)].
Last Modified	29 January 2024
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C117H191N9O85
Net Charge	0
Average Mass	3083.793
Monoisotopic Mass	3082.08999
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[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@H](O)[C@H](O[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]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@H](O)[C@H](O[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]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C117H191N9O85/c1-28(141)118-55-37(150)10-115(112(177)178,206-92(55)64(156)40(153)13-127)209-95-68(160)44(17-131)186-107(80(95)172)199-85-48(21-135)190-103(61(74(85)166)124-34(7)147)197-89-52(25-139)193-106(78(170)77(89)169)183-27-54-91(203-101-59(122-32(5)145)71(163)67(159)43(16-130)185-101)98(83(175)110(195-54)202-88-50(23-137)189-102(60(73(88)165)123-33(6)146)196-84-47(20-134)184-100(176)58(72(84)164)121-31(4)144)204-111-99(205-105-63(126-36(9)149)76(168)87(51(24-138)192-105)201-109-82(174)97(70(162)46(19-133)188-109)211-117(114(181)182)12-39(152)57(120-30(3)143)94(208-117)66(158)42(155)15-129)79(171)90(53(26-140)194-111)198-104-62(125-35(8)148)75(167)86(49(22-136)191-104)200-108-81(173)96(69(161)45(18-132)187-108)210-116(113(179)180)11-38(151)56(119-29(2)142)93(207-116)65(157)41(154)14-128/h37-111,127-140,150-176H,10-27H2,1-9H3,(H,118,141)(H,119,142)(H,120,143)(H,121,144)(H,122,145)(H,123,146)(H,124,147)(H,125,148)(H,126,149)(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
InChIKey	LPASMFIYEXJAEL-KBUJVNOSSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-GlcpNAc-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)]-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:87624) is a amino oligosaccharide (CHEBI:22483)
	β-D-GlcpNAc-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)]-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:87624) 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→3)-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→3)-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→3)-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

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→3)-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→3)-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→3)-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
Neu5Aca2-3Galb1-4GlcNAcb1-4Mana1-6(GlcNAcb1-4)(Neu5Aca2-3Galb1-4GlcNAcb1-4(Neu5Aca2-3Galb1-4GlcNAcb1-2)Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb	ChEBI
β-D-GlcNAc-(1→4)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→4)]-α-D-Man-(1→3)]-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→4)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc	ChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-α-D-mannosyl-(1→6)-[N-acetyl-β-D-glucosaminyl-(1→4)]-{N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)]-α-D-mannosyl-(1→3)}-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)]-α-D-mannopyranosyl-(1→3)]-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-α-D-mannopyranosyl-(1→6)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranose	ChEBI

Citations