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CHEBI:61579 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-D-GalpNAc

Default Structure
ChEBI IDCHEBI:61579
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-D-GalpNAc
DefinitionA linear amino trisaccharide comprising an α-N-acetylneuraminyl residue (2→3)-linked to a β-D-galactosyl residue, which is in turn linked (1→3) to N-acetyl-D-galactosamine.
Last Modified13 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC25H42N2O19
Net Charge0
Average Mass674.606
Monoisotopic Mass674.23818
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)OC(O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_b3-c2
InChIInChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-17(37)12(6-30)43-23(18(21)38)44-19-14(27-8(2)32)22(39)42-11(5-29)16(19)36/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,22?,23-,25-/m0/s1
InChIKeyKMRCGPSUZRGVOV-RYGDDSFPSA-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→3)-D-GalpNAc (CHEBI:61579) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-D-GalpNAc (CHEBI:61579) is a amino trisaccharide (CHEBI:59266)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-D-GalpNAc (CHEBI:61579) is a galactosamine oligosaccharide (CHEBI:22484)
Incoming Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc (CHEBI:65257) is a α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-D-GalpNAc (CHEBI:61579)
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-D-galactopyranose
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulonosyl-(2→3)-β-D-galactosyl-(1→3)-2-acetamido-2-deoxy-D-galactoseChEBI
(Gal)1 (GalNAc)1 (Neu5Ac)1KEGG GLYCAN
Neu5Acα(2-3)Galβ(1-3)GalNAcChEBI
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-D-glucosamineChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-D-GalNAcChEBI
Manual XrefsDatabases
G00261KEGG GLYCAN
G56299XOGlyTouCan
G56299XOGlyGen
Registry NumbersSources
Reaxys:7247033Reaxys
Citations