CHEBI:59208 - β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp
ChEBI ID CHEBI:59208
ChEBI ASCII Name beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp
Definition A branched amino pentasaccharide consisting of the linear sequence β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc having a Neu5Ac residue attached to the inner galactose via an α-(2→3) linkage. The oligosaccharide of ganglioside GM1a.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H62N2O29
Net Charge 0
Average Mass 998.88420
Monoisotopic Mass 998.34382
InChI InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-30(17)19(49)12(48)4-40)68-31-26(56)35(64-27-15(7-43)60-32(57)24(54)23(27)53)63-16(8-44)28(31)65-33-18(39-10(2)46)29(21(51)14(6-42)61-33)66-34-25(55)22(52)20(50)13(5-41)62-34/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,37-/m0/s1
InChIKey NSWYGIPOSHIRHB-ZMCCZBDLSA-N
SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:59208) has role epitope (CHEBI:53000)
β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:59208) is a β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-D-Glc (CHEBI:62675)
IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-β-non-2-ulopyranonosyl-(2→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms Sources
α-Neu5Ac-(2→3)-[β-D-Gal-(1→3)-β-D-GalNAc-(1→4)]-β-D-Gal-(1→4)-β-D-Glc ChEBI
α-Neup5Ac-(2→3)-[β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp ChEBI
β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc ChEBI
G(M1)-Oligosaccharide ChemIDplus
Galb1-3GalNAcb1-4(Neu5Aca2-3)Galb1-4Glcb ChEBI
Galβ1-3GalNAcβ1-4(Neu5Acα2-3)Galβ1-4Glcβ ChEBI
GM1a carbohydrate moiety ChEBI
N-acetyl-α-neuraminyl-(2→3)-[β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucose ChEBI
Neu5Acα2-3(Galβ1-3GalNAcβ1-4)Galβ1-4Glcβ ChEBI
O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4))-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranose ChemIDplus
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-[O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)]-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose ChEBI
WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-2/a4-b1_b3-c2_b4-d1_d3-e1 GlyTouCan
Manual Xrefs Databases
G48558GR GlyGen
G48558GR GlyTouCan
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Registry Numbers Types Sources
85373-04-2 CAS Registry Number ChemIDplus
8754288 Reaxys Registry Number Reaxys
8754288 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
11012028 PubMed citation Europe PMC
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Last Modified
02 May 2023