alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc (CHEBI:87759)

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CHEBI:87759 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-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:87759
ChEBI Name	α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-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->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-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 tetradecasaccharide 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-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→2)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→6)]-α-D-mannosyl branched heptasaccharide unit [linked (1→6)], and an N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl linear tetrasaccharide unit [linked (1→3)].
Last Modified	12 February 2024
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C109H178N8O80
Net Charge	0
Average Mass	2880.599
Monoisotopic Mass	2879.01062
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](CO)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](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[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]7O)[C@H]6NC(C)=O)[C@@H]5O)[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@]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]5NC(C)=O)[C@@H](O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C109H178N8O80/c1-26(130)110-51-34(138)9-107(104(165)166,192-84(51)59(144)37(141)12-118)195-88-67(152)44(19-125)177-99(76(88)161)186-81-56(115-31(6)135)94(174-41(16-122)64(81)149)171-24-49-63(148)74(159)91(190-96-57(116-32(7)136)82(65(150)42(17-123)175-96)187-100-77(162)89(68(153)45(20-126)178-100)196-108(105(167)168)10-35(139)52(111-27(2)131)85(193-108)60(145)38(142)13-119)102(183-49)172-25-50-70(155)87(75(160)98(182-50)185-80-48(23-129)181-95(55(72(80)157)114-30(5)134)184-79-47(22-128)173-93(164)54(71(79)156)113-29(4)133)189-103-92(73(158)62(147)40(15-121)180-103)191-97-58(117-33(8)137)83(66(151)43(18-124)176-97)188-101-78(163)90(69(154)46(21-127)179-101)197-109(106(169)170)11-36(140)53(112-28(3)132)86(194-109)61(146)39(143)14-120/h34-103,118-129,138-164H,9-25H2,1-8H3,(H,110,130)(H,111,131)(H,112,132)(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,165,166)(H,167,168)(H,169,170)/t34-,35-,36-,37+,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+,107-,108-,109-/m0/s1
InChIKey	DNQYMQRDOJAVNO-RNPJRNJGSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:87759) is a amino oligosaccharide (CHEBI:22483)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:87759) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Name
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→3)-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→3)-β-D-galactopyranosyl-(1→3)-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

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

Citations