alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-2,5-anhydro-D-Man (CHEBI:137226)

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CHEBI:137226 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-2,5-anhydro-D-Man

ChEBI ID	CHEBI:137226
ChEBI Name	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-2,5-anhydro-D-Man
Stars
ASCII Name	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-2,5-anhydro-D-Man
Definition	A branched amino decasaccharide comprising a sequence of α-sialyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl, β-D-glucosyl and 2,5-anydro-D-mannose residues linked sequentially (2→3), (1→4), (1→3), (1→4) and (1→6), to the N-acetyl-glucosaminyl residue of which is linked also (1→6) an α-sialyl-(2→3)-β-D-galactosyl disaccharide unit, while to the 2,5-anhydro-D-mannose residue at the reducing end is also linked (1→4) a further α-sialyl(2→3)-β-D-galactosyl disaccharide unit. Obtained by depolymerisation of the group B Streptococcus (GBS) type III capsular polysaccharide during which process the 2,5-anhydro-D-mannose residue is formed from a the original reducing-end N-acetyl-glucosaminyl residue (PMID:28439022).
Last Modified	31 May 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C72H117N3O56
Net Charge	0
Average Mass	1920.693
Monoisotopic Mass	1919.63997
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](OC[C@H]6O[C@H](C=O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O7)[C@H]6O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C72H117N3O56/c1-17(85)73-33-20(88)4-71(69(109)110,128-57(33)36(92)22(90)6-76)130-60-41(97)27(11-81)118-67(51(60)107)125-55-31(115-25(9-79)39(55)95)15-113-63-49(105)46(102)54(30(14-84)121-63)124-66-50(106)59(40(96)26(10-80)117-66)127-62-35(75-19(3)87)43(99)56(32(122-62)16-114-64-48(104)45(101)53(29(13-83)120-64)123-65-47(103)44(100)38(94)24(8-78)116-65)126-68-52(108)61(42(98)28(12-82)119-68)131-72(70(111)112)5-21(89)34(74-18(2)86)58(129-72)37(93)23(91)7-77/h9,20-68,76-78,80-84,88-108H,4-8,10-16H2,1-3H3,(H,73,85)(H,74,86)(H,75,87)(H,109,110)(H,111,112)/t20-,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-,62-,63+,64+,65-,66-,67-,68-,71-,72-/m0/s1
InChIKey	HRWNTTHTJBJVGQ-VGLYMXIGSA-N

Roles Classification

Biological Role:

epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-2,5-anhydro-D-Man (CHEBI:137226) has role epitope (CHEBI:53000)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-2,5-anhydro-D-Man (CHEBI:137226) is a amino decasaccharide (CHEBI:68691)

IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2,5-anhydro-D-mannose

IUPAC Name

5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2,5-anhydro-D-mannose

Synonyms	Source
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)]-2,5-anhydro-D-mannose	ChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[β-D-Gal-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→6)]-2,5-anhydro-D-Man	ChEBI

Citations