beta-D-GlcpNAc-(1->2)-[beta-D-GlcpNAc-(1->6)]-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc (CHEBI:180493)

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CHEBI:180493 - β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc

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ChEBI ID	CHEBI:180493
ChEBI Name	β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc
Stars
ASCII Name	beta-D-GlcpNAc-(1->2)-[beta-D-GlcpNAc-(1->6)]-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-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 6 by a β-D-GlcNAc-(1→2)-α-D-Man group and at position 3 by a β-D-GlcNAc-(1→2)-[β-D-GlcNAc-(1→6)]-α-D-Man group.
Last Modified	22 September 2022
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C58H97N5O41
Net Charge	0
Average Mass	1520.408
Monoisotopic Mass	1519.56590
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]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]2O)[C@@H]1O
InChI	InChI=1S/C58H97N5O41/c1-14(70)59-27-41(84)46(23(10-68)92-51(27)89)100-55-31(63-18(5)74)42(85)47(24(11-69)97-55)101-56-45(88)48(37(80)26(98-56)13-91-57-49(43(86)35(78)22(9-67)96-57)103-53-29(61-16(3)72)39(82)33(76)20(7-65)94-53)102-58-50(104-54-30(62-17(4)73)40(83)34(77)21(8-66)95-54)44(87)36(79)25(99-58)12-90-52-28(60-15(2)71)38(81)32(75)19(6-64)93-52/h19-58,64-69,75-89H,6-13H2,1-5H3,(H,59,70)(H,60,71)(H,61,72)(H,62,73)(H,63,74)/t19-,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-/m1/s1
InChIKey	XDYRYVFKLGKUDR-UWOWCANXSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:180493) is a amino octasaccharide (CHEBI:71060)
	β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:180493) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
	β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:154353) is a β-D-GlcpNAc-(1→2)-[β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→3)-[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:180493)

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

Citations