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)-D-GlcpNAc (CHEBI:64484)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64484 - 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)-D-GlcpNAc

Take structure to advanced search

ChEBI ID	CHEBI:64484
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)-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)-D-GlcpNAc
Definition	A branched amino octasaccharide that consists of the linear tetrasaccharide β-D-Xyl-(1→2)-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-GlcNAc in which the Man residue is substituted at positions 3 and 6 by β-D-GlcNAc-(1→2)-α-D-Man groups.
Last Modified	9 August 2022
Submitter	Steve
Downloads	Molfile

Formula	C55H92N4O40
Net Charge	0
Average Mass	1449.329
Monoisotopic Mass	1448.52878
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)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]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[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]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChI	InChI=1S/C55H92N4O40/c1-13(66)56-25-37(79)42(22(9-64)87-48(25)84)94-51-28(59-16(4)69)38(80)43(23(10-65)92-51)95-55-47(99-52-41(83)29(71)17(70)11-85-52)44(96-54-46(40(82)33(75)21(8-63)91-54)98-50-27(58-15(3)68)36(78)31(73)19(6-61)89-50)34(76)24(93-55)12-86-53-45(39(81)32(74)20(7-62)90-53)97-49-26(57-14(2)67)35(77)30(72)18(5-60)88-49/h17-55,60-65,70-84H,5-12H2,1-4H3,(H,56,66)(H,57,67)(H,58,68)(H,59,69)/t17-,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-,55+/m1/s1
InChIKey	LBUIHKBHXXNHOJ-WGSOSALVSA-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)-D-GlcpNAc (CHEBI:64484) is a amino octasaccharide (CHEBI:71060)
	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)-D-GlcpNAc (CHEBI:64484) 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)-D-GlcpNAc (CHEBI:64484) is a oligosaccharide derivative (CHEBI:63563)
Incoming 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)-β-D-GlcpNAc (CHEBI:192807) 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)-D-GlcpNAc (CHEBI:64484)

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)-2-acetamido-2-deoxy-D-glucopyranose

Synonyms	Source
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-(1→4)-D-GlcNAc	ChEBI
N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-[N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)]-[β-D-xylosyl-(1→2)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosamine	ChEBI
GlcNAcβ1→2Manα1→6(GlcNAcβ1→2Manα1→3)(Xylβ1→2)Manβ1→4GlcNAcβ1→4GlcNAc	ChEBI
(GlcNAc)4 (Man)3 (Xyl)1	KEGG GLYCAN
GnGnX	ChEBI
GlcNAcβ1-2Manα1-6(GlcNAcβ1-2Manα1-3)(Xylβ1-2)Manβ1-4GlcNAcβ1→4GlcNAc	IUPAC

Manual Xrefs	Databases
G11771	KEGG GLYCAN

Citations