beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc (CHEBI:152575)

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CHEBI:152575 - β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-β-D-GlcpNAc

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ChEBI ID	CHEBI:152575
ChEBI Name	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-β-D-GlcpNAc
Stars
ASCII Name	beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc
Definition	A branched amino nonasaccharide consisting of a β-D-GlcNAc residue at the reducing end with a β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-[β-D-Xyl-(1→2)]-β-D-Man-(1→4)-β-D-GlcNAc moiety attached via a β-(1→4)-linkage and an α-L-Fuc residue attached via an α-(1→6)-linkage.
Last Modified	27 February 2023
Submitter	Gareth Owen
Downloads	Molfile

Formula	C61H102N4O44
Net Charge	0
Average Mass	1595.471
Monoisotopic Mass	1594.58669
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](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](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](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
WURCS	WURCS=2.0/5,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4-1-4-1-5/a4-b1_a6-i1_b4-c1_c2-d1_c3-e1_c6-g1_e2-f1_g2-h1
InChI	InChI=1S/C61H102N4O44/c1-14-31(76)42(87)46(91)57(96-14)94-13-26-48(40(85)27(53(92)97-26)62-15(2)71)104-56-30(65-18(5)74)41(86)47(24(10-70)102-56)105-61-52(109-58-45(90)32(77)19(75)11-93-58)49(106-60-51(44(89)36(81)23(9-69)101-60)108-55-29(64-17(4)73)39(84)34(79)21(7-67)99-55)37(82)25(103-61)12-95-59-50(43(88)35(80)22(8-68)100-59)107-54-28(63-16(3)72)38(83)33(78)20(6-66)98-54/h14,19-61,66-70,75-92H,6-13H2,1-5H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)/t14-,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-/m0/s1
InChIKey	YCLLOXBQDPMLTG-PIVZJELSSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-β-D-GlcpNAc (CHEBI:152575) is a amino nonasaccharide (CHEBI:68818)
	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-β-D-GlcpNAc (CHEBI:152575) is a amino sugar (CHEBI:28963)
	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-β-D-GlcpNAc (CHEBI:152575) is a glucosamine oligosaccharide (CHEBI:22485)
	β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-β-D-GlcpNAc (CHEBI:152575) is a β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-[α-L-Fucp-(1→6)]-D-GlcpNAc (CHEBI:154600)

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

Synonyms	Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→2)-alpha-D-manno-hexopyranosyl-(1→3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→2)-alpha-D-manno-hexopyranosyl-(1→6)][beta-D-xylo-pentopyranosyl-(1→2)]-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-beta-D-gluco-hexopyranose	SUBMITTER
GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)][Xyl(b1-2)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc	SUBMITTER
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,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,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]oxymethyl]-5-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-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	IUPAC
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→3)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-O-[β-D-xylopyranosyl-(1→2)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→6)]-2-(acetylamino)-2-deoxy-β-D-glucopyranose	ChEBI

Manual Xrefs	Databases
G62826CL	GlyTouCan
G62826CL	GlyGen

Citations