beta-D-GlcpNAc-(1->6)-[beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc (CHEBI:156495)

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CHEBI:156495 - β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc

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ChEBI ID	CHEBI:156495
ChEBI Name	β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc
Stars
ASCII Name	beta-D-GlcpNAc-(1->6)-[beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
Definition	A branched amino nonasaccharide consisting of a tetrasaccharide backbone of N-acetyl-β-D-glucosaminyl, β-D-mannosyl, N-acetyl-β-D-glucosaminyl and N-acetyl-β-D-glucosamine residues all linked sequentially (1→4), in which the mannosyl residue carries via a (1→6) linkage an N-acetyl-β-D-glucosaminyl-(1→2)-[N-acetyl-β-D-glucosaminyl-(1→6)]-α-D-mannosyl trisaccharide unit, as well as an N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl disaccharide unit via a (1→3) linkage.
Last Modified	11 September 2020
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C66H110N6O46
Net Charge	0
Average Mass	1723.602
Monoisotopic Mass	1722.64527
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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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
InChI	InChI=1S/C66H110N6O46/c1-16(80)67-31-47(96)52(27(12-78)104-58(31)101)113-63-36(72-21(6)85)48(97)53(28(13-79)110-63)114-64-51(100)55(116-66-57(49(98)41(90)26(11-77)109-66)118-62-35(71-20(5)84)46(95)40(89)25(10-76)108-62)54(115-60-33(69-18(3)82)44(93)38(87)23(8-74)106-60)30(112-64)15-103-65-56(117-61-34(70-19(4)83)45(94)39(88)24(9-75)107-61)50(99)42(91)29(111-65)14-102-59-32(68-17(2)81)43(92)37(86)22(7-73)105-59/h22-66,73-79,86-101H,7-15H2,1-6H3,(H,67,80)(H,68,81)(H,69,82)(H,70,83)(H,71,84)(H,72,85)/t22-,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-/m1/s1
InChIKey	GHTUCEKAOKFQJB-ZXULPEQWSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:156495) is a amino nonasaccharide (CHEBI:68818)
	β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:156495) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Name
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)]-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→6)-[β-D-GlcNAc-(1→2)]-α-D-Man-(1→6)-[β-D-GlcNAc-(1→4)]-[β-D-GlcNAc-(1→2)-α-D-Man-(1→3)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc	ChEBI
N-acetyl-β-D-glucosaminyl-(1→4)-[N-acetyl-β-D-glucosaminyl-(1→2)-[N-acetyl-β-D-glucosaminyl-(1→6)]-α-D-mannosyl-(1→6)]-[N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine	ChEBI
N-acetyl-β-D-glucosaminyl-(1→6)-[N-acetyl-β-D-glucosaminyl-(1→2)]-α-D-mannosyl-(1→6)-[N-acetyl-β-D-glucosaminyl-(1→4)]-[N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine	ChEBI
GlcNAcβ1-6(GlcNAcβ1-2)Manα1-6(GlcNAcβ1-4)(GlcNAcβ1-2Manα1-3)Manβ1-4GlcNAcβ1-4GlcNAc	ChEBI
GlcNAcβ1-4[GlcNAcβ1-2(GlcNAcβ1-6)Manα1-6](GlcNAcβ1-2Manα1-3)Manβ1-4GlcNAcβ1-4GlcNAc	IUPAC
GlcNAcb1-6(GlcNAcb1-2)Mana1-6(GlcNAcb1-4)(GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAc	ChEBI

Citations