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CHEBI:62313 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:62313
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp
DefinitionA linear amino hexasaccharide comprising β-D-glucose at the reducing end with at the 4-position a β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl moiety, α(2→3)-sialylated at the terminal galactosyl residue.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC43H72N2O34
Net Charge0
Average Mass1161.029
Monoisotopic Mass1160.39665
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](CO)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](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/5,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5/a4-b1_b4-c1_c3-d1_d3-e1_e3-f2
InChIInChI=1S/C43H72N2O34/c1-10(52)44-19-12(54)3-43(42(67)68,78-34(19)21(56)13(55)4-46)79-36-24(59)16(7-49)72-41(30(36)65)76-33-20(45-11(2)53)38(70-14(5-47)22(33)57)77-35-23(58)15(6-48)71-40(29(35)64)75-32-18(9-51)73-39(28(63)26(32)61)74-31-17(8-50)69-37(66)27(62)25(31)60/h12-41,46-51,54-66H,3-9H2,1-2H3,(H,44,52)(H,45,53)(H,67,68)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39-,40+,41-,43-/m0/s1
InChIKeyCVJMMLQZMVLCDY-JIRPOHLFSA-N
Roles Classification
Biological Roles:
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).
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→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:62313) has role antigen (CHEBI:59132)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:62313) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:62313) is a amino hexasaccharide (CHEBI:61855)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:62313) is a galactosamine oligosaccharide (CHEBI:22484)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulonosyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-D-glucosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucooseChEBI
NeuAcα2,3Galβ1,3GalNAcβ1,3Galα1,4Galβ1,4GlcβChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosamineChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-GlcChEBI
NeuAcα2-3Galβ1-3GalNAcβ1-3Galα1-4Galβ1-4GlcβChEBI
Neu5Aca2-3Galb1-3GalNAcb1-3Gala1-4Galb1-4GlcbChEBI
Manual XrefsDatabases
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Citations