alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[alpha-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->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc (CHEBI:87745)

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CHEBI:87745 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[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→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI ID	CHEBI:87745
ChEBI Name	α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[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→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Name	alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[alpha-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->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
Definition	A branched amino oligosaccharide that is a pentadecasaccharide 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→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→6)]-α-D-mannosyl branched heptasaccharide unit [linked (1→6)], and an N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannopyranosyl linear tetrasaccharide unit [linked (1→3)].
Last Modified	12 February 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@@](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](OC[C@H]5O[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)[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](CO)[C@@H](O[C@@H]7O[C@H](CO[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O8)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[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](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
InChI	InChI=1S/C117H191N9O85/c1-28(137)118-55-37(146)10-115(112(177)178,209-94(55)64(152)40(149)13-127)185-25-51-69(157)79(167)84(172)106(195-51)201-89-46(19-133)191-101(60(75(89)163)123-33(6)142)183-23-50-72(160)83(171)98(207-104-62(125-35(8)144)77(165)90(47(20-134)193-104)202-107-85(173)80(168)70(158)52(196-107)26-186-116(113(179)180)11-38(147)56(119-29(2)138)95(210-116)65(153)41(150)14-128)110(198-50)184-24-54-93(205-102-59(122-32(5)141)73(161)67(155)43(16-130)189-102)97(87(175)109(199-54)204-92-49(22-136)192-103(61(76(92)164)124-34(7)143)200-88-45(18-132)188-100(176)58(74(88)162)121-31(4)140)206-111-99(82(170)68(156)44(17-131)190-111)208-105-63(126-36(9)145)78(166)91(48(21-135)194-105)203-108-86(174)81(169)71(159)53(197-108)27-187-117(114(181)182)12-39(148)57(120-30(3)139)96(211-117)66(154)42(151)15-129/h37-111,127-136,146-176H,10-27H2,1-9H3,(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(H,124,143)(H,125,144)(H,126,145)(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	NMLCKHAPPTXOAG-IIVSLDJVSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[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→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:87745) is a amino oligosaccharide (CHEBI:22483)
	α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[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→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:87745) 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→6)]-α-D-mannopyranosyl-(1→6)]-[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)-α-D-mannopyranosyl-(1→3)]-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→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→6)]-α-D-mannopyranosyl-(1→6)]-[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)-α-D-mannopyranosyl-(1→3)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose

Synonyms	Source
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→6)]-α-D-mannosyl-(1→6)]-[N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannopyranosyl-(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→6)-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→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-O-[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→2)-α-D-mannopyranosyl-(1→3)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranose	ChEBI
Neu5Aca2-6Galb1-4GlcNAcb1-6(Neu5Aca2-6Galb1-4GlcNAcb1-2)Mana1-6(GlcNAcb1-4)(Neu5Aca2-6Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb	ChEBI
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-[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→2)-α-D-Man-(1→3)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc	ChEBI

Citations