beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->3)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-D-GlcpNAc (CHEBI:152386)

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CHEBI:152386 - β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→3)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc

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ChEBI ID	CHEBI:152386
ChEBI Name	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→3)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc
Stars
ASCII Name	beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->3)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-D-GlcpNAc
Definition	A branched amino octasaccharide derivative that is β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-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 group, while the D-GlcNAc residue at the reducing end is substituted at position 6 by an α-L-Fuc residue.
Last Modified	27 September 2022
Submitter	Gareth Owen
Downloads	Molfile

Formula	C54H91N3O40
Net Charge	0
Average Mass	1422.303
Monoisotopic Mass	1421.51788
SMILES	CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCS	WURCS=2.0/5,8,7/[a2122h-1x_1-5_2NCC/3=O][a2122h-1b_1-5_2NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-4-4-5/a4-b1_a6-h1_b4-c1_c3-d1_c6-f1_d2-e1_f3-g1
InChI	InChI=1S/C54H91N3O40/c1-12-26(66)35(75)38(78)50(85-12)84-11-22-43(33(73)23(47(82)86-22)55-13(2)63)93-49-25(57-15(4)65)34(74)42(20(9-62)91-49)94-53-41(81)45(96-54-46(37(77)29(69)18(7-60)90-54)97-48-24(56-14(3)64)32(72)27(67)16(5-58)87-48)31(71)21(92-53)10-83-51-40(80)44(30(70)19(8-61)88-51)95-52-39(79)36(76)28(68)17(6-59)89-52/h12,16-54,58-62,66-82H,5-11H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)/t12-,16+,17+,18+,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+/m0/s1
InChIKey	HAGHLTBSQNOVBK-PBBCYELKSA-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)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc (CHEBI:152386) is a amino octasaccharide (CHEBI:71060)
	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→3)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc (CHEBI:152386) is a amino sugar (CHEBI:28963)
	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→3)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc (CHEBI:152386) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→3)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-β-D-GlcpNAc (CHEBI:152377) is a β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→3)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc (CHEBI:152386)

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

Synonyms	Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→2)-alpha-D-manno-hexopyranosyl-(1→3)-[alpha-D-manno-hexopyranosyl-(1→3)-alpha-D-manno-hexopyranosyl-(1→6)]-beta-D-manno-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose	SUBMITTER
GlcNAc(b1-2)Man(a1-3)[Man(a1-3)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc	SUBMITTER
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide	ChEBI
N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→3)-α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-[α-L-fucosyl-(1→6)]-N-acetyl-D-glucosamine	ChEBI
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→3)-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→6)]-2-acetamido-2-deoxy-D-glucopyranose	IUPAC
GlcNAcβ1-2Manα1-3(Manα1-3Manα1-6)Manβ1-4GlcNAcβ1-4(Fucα1-6)GlcNAc	IUPAC

Manual Xrefs	Databases
G58992VJ	GlyTouCan
G58992VJ	GlyGen

Citations