beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc (CHEBI:170013)

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CHEBI:170013 - β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc

ChEBI ID	CHEBI:170013
ChEBI Name	β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→2)-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->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
Definition	An oligosaccharide derivative consisting of a linear trisaccharide backbone of a β-D-mannosyl residue, an N-acetyl-β-D-glucosyl residue and (at the reducing end) an N-acetyl-β-D-glucose residue, all linked through (1→4) glycosidic linkages, to the mannosyl residue of which are linked two separate N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl tetrasaccharide units via (1→3) and (1→6) glycosidic linkages.
Last Modified	27 April 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C78H130N6O55
Net Charge	0
Average Mass	2031.885
Monoisotopic Mass	2030.75600
SMILES	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[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]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[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]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](C)O[C@H]1O
InChI	InChI=1S/C78H130N6O55/c1-18-59(50(109)35(68(118)120-18)79-19(2)94)131-71-38(82-22(5)97)51(110)62(31(14-91)127-71)134-76-58(117)65(137-78-67(55(114)44(103)28(11-88)126-78)139-73-40(84-24(7)99)53(112)61(33(16-93)129-73)133-75-57(116)64(46(105)30(13-90)124-75)136-70-37(81-21(4)96)49(108)42(101)26(9-86)122-70)47(106)34(130-76)17-119-77-66(54(113)43(102)27(10-87)125-77)138-72-39(83-23(6)98)52(111)60(32(15-92)128-72)132-74-56(115)63(45(104)29(12-89)123-74)135-69-36(80-20(3)95)48(107)41(100)25(8-85)121-69/h18,25-78,85-93,100-118H,8-17H2,1-7H3,(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,83,98)(H,84,99)/t18-,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+,56-,57-,58+,59-,60-,61-,62-,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78-/m1/s1
InChIKey	WPJKHPJTDZKOGV-KRYATHCSSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:170013) is a glucosamine oligosaccharide (CHEBI:22485)
	β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:170013) is a oligosaccharide derivative (CHEBI:63563)

IUPAC Name
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2,6-dideoxy-β-D-glucopyranose

IUPAC Name

2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2,6-dideoxy-β-D-glucopyranose

Synonyms	Source
N-acetyl-β-D-glucosaminy-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-[N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→2)-α-D-Man-(1→3)-[β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc	ChEBI
GlcNAcβ1-3Galβ1-4Glcβ1-2Manα1-3(GlcNAcβ1-3Galβ1-4Glcβ1-2Manα1-6)Manβ1-4GlcNAcβ1-4GlcNAcβ	IUPAC
GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb	ChEBI

Citations