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CHEBI:136728 - β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[β-D-Glcp-(1→4)]-β-D-GlcpNAcOCH2CH2N3

ChEBI IDCHEBI:136728
ChEBI Nameβ-D-Galp-(1→4)-β-D-Glcp-(1→6)-[β-D-Glcp-(1→4)]-β-D-GlcpNAcOCH2CH2N3
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Glcp-(1->4)]-beta-D-GlcpNAcOCH2CH2N3
DefinitionA β-D-glucoside that is the 2-azidoethyl glycoside of a tetrasaccharide (Streptococcus pneumoniae serotype 14 tetrasaccharide) consisting of at the reducing end an N-acetyl-β-D-glucosamine residue to which are linked (1→4) and (1→6) respectively a β-D-glucose residue and a β-D-galactosyl-(1→4)-β-D-glucosyl disaccharide unit.
Last Modified5 April 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC28H48N4O21
Net Charge0
Average Mass776.699
Monoisotopic Mass776.28110
SMILESCC(=O)N[C@H]1[C@H](OCCN=[N+]=[N-])O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C28H48N4O21/c1-8(36)31-13-16(39)24(53-28-21(44)18(41)15(38)10(5-34)49-28)12(51-25(13)46-3-2-30-32-29)7-47-26-22(45)19(42)23(11(6-35)50-26)52-27-20(43)17(40)14(37)9(4-33)48-27/h9-28,33-35,37-45H,2-7H2,1H3,(H,31,36)/t9-,10-,11-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1
InChIKeyNZPPDEGSSGDVDW-BMLJXFISSA-N
Roles Classification
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[β-D-Glcp-(1→4)]-β-D-GlcpNAcOCH2CH2N3 (CHEBI:136728) has role antigen (CHEBI:59132)
β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[β-D-Glcp-(1→4)]-β-D-GlcpNAcOCH2CH2N3 (CHEBI:136728) is a azide (CHEBI:22680)
β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[β-D-Glcp-(1→4)]-β-D-GlcpNAcOCH2CH2N3 (CHEBI:136728) is a tetrasaccharide derivative (CHEBI:63567)
β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[β-D-Glcp-(1→4)]-β-D-GlcpNAcOCH2CH2N3 (CHEBI:136728) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-azidoethyl β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-[β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranoside
Synonyms  Source
2-azidoethyl β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)-[β-D-glucosyl-(1→4)]-N-acetyl-β-D-glucosaminideChEBI
β-D-Gal-(1→4)-β-D-Glc-(1→6)-[β-D-Glc-(1→4)]-β-D-GlcNAcOCH2CH2N3ChEBI
Galβ1-4Glcβ1-6(Glcβ1-4)GlcβNAcOCH2CH2N3ChEBI
Citations