beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-{alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->3)]-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc (CHEBI:188468)

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CHEBI:188468 - β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→3)]-[α-L-Fucp-(1→6)]-β-D-GlcpNAc

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ChEBI ID	CHEBI:188468
ChEBI Name	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→3)]-[α-L-Fucp-(1→6)]-β-D-GlcpNAc
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ASCII Name	beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-{alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->3)]-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc
Definition	A branched amino decasaccharide derivative that is β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc in which the mannosyl group is substituted at position 3 by a β-D-GlcNAc-(1→2)-α-D-Man group and at position 6 by an α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man group, while the GlcNAc residue at the reducing end is substituted at positions 3 and 6 by α-L-Fuc residues.
Last Modified	20 February 2023
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C66H111N3O49
Net Charge	0
Average Mass	1730.586
Monoisotopic Mass	1729.62862
SMILES	CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[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](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
InChI	InChI=1S/C66H111N3O49/c1-14-30(78)40(88)45(93)60(103-14)102-13-26-52(53(29(57(99)105-26)69-18(5)77)115-63-47(95)41(89)31(79)15(2)104-63)114-59-28(68-17(4)76)39(87)51(23(10-74)110-59)113-65-50(98)55(117-66-56(44(92)35(83)22(9-73)109-66)118-58-27(67-16(3)75)38(86)32(80)19(6-70)106-58)37(85)25(112-65)12-101-62-49(97)54(116-64-48(96)43(91)34(82)21(8-72)108-64)36(84)24(111-62)11-100-61-46(94)42(90)33(81)20(7-71)107-61/h14-15,19-66,70-74,78-99H,6-13H2,1-5H3,(H,67,75)(H,68,76)(H,69,77)/t14-,15-,19+,20+,21+,22+,23+,24+,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+/m0/s1
InChIKey	MBWHXTQQKNDDST-JMCSDVHMSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→3)]-[α-L-Fucp-(1→6)]-β-D-GlcpNAc (CHEBI:188468) is a amino decasaccharide (CHEBI:68691)
	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→3)]-[α-L-Fucp-(1→6)]-β-D-GlcpNAc (CHEBI:188468) is a glucosamine oligosaccharide (CHEBI:22485)

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

Synonyms	Source
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-[6-deoxy-α-L-galactopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranose	IUPAC
β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-[α-L-Fuc-(1→3)]-[α-L-Fuc-(1→6)]-β-D-GlcNAc	ChEBI
N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→6)]-α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-[α-L-fucosyl-(1→3)]-[α-L-fucosyl-(1→6)]-N-acetyl-β-D-glucosamine	ChEBI
α-L-Fuc-(1→3)-[α-L-Fuc-(1→6)]-(β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4))-β-D-GlcNAc	ChEBI
Fucα1-3(Fucα1-6)[GlcNAcβ1-2Manα1-3(Manα1-3)(Manα1-6)Manα1-6]Manβ1-4GlcNAcβ1-4GlcNAcβ	IUPAC
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→3)-O-[O-α-D-mannopyranosyl-(1→3)-O-[α-D-mannopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-O-[6-deoxy-α-L-galactopyranosyl-(1→6)]-2-(acetylamino)-2-deoxy-β-D-glucopyranose	ChEBI

Citations