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CHEBI:155917 - β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAcO[CH2]3NH2

ChEBI IDCHEBI:155917
ChEBI Nameβ-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAcO[CH2]3NH2
Stars
ASCII Namebeta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)]-beta-D-GlcpNAcO[CH2]3NH2
DefinitionA branched amino hexasaccharide consisting of a D-glucosyl residue β-linked to a 3-aminopropyl group and which carries an N-acetyl-β-D-glucosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-glucosyl unit linked (1→6) and an N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl unit linked (1→4). Its conjugation to the carrier protein CRM197 elicits an immune response to type III Group B Streptococcus (GBSIII) indicating that it may suffice as a synthetic vaccine antigen.
Last Modified25 June 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC48H82N4O34
Net Charge0
Average Mass1259.178
Monoisotopic Mass1258.48105
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](OCCCN)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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=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
InChIInChI=1S/C48H82N4O34/c1-14(58)50-24-17(61)7-48(47(73)74,85-39(24)27(63)18(62)8-53)86-41-30(66)21(11-56)79-46(36(41)72)83-38-23(81-42(75-6-4-5-49)26(32(38)68)52-16(3)60)13-76-44-34(70)33(69)37(22(12-57)80-44)82-45-35(71)40(29(65)20(10-55)78-45)84-43-25(51-15(2)59)31(67)28(64)19(9-54)77-43/h17-46,53-57,61-72H,4-13,49H2,1-3H3,(H,50,58)(H,51,59)(H,52,60)(H,73,74)/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-,48-/m0/s1
InChIKeyPZXGJNUQPBXOKP-SPTGJBRNSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAcO[CH2]3NH2 (CHEBI:155917) has functional parent β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:155918)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAcO[CH2]3NH2 (CHEBI:155917) is a amino hexasaccharide (CHEBI:61855)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAcO[CH2]3NH2 (CHEBI:155917) is a glycoside (CHEBI:24400)
IUPAC Name 
3-aminopropyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranoside
Synonyms  Source
β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→6)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)]-β-D-GlcNAcO[CH2]3NH2ChEBI
3-aminopropyl N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucosideChEBI
GlcNAcβ1-3Galβ1-4Glcβ1-6(Neu5Acα2-3Galβ1-4)GlcNAcαO[CH2]3NH2ChEBI
Citations