CHEBI:52472 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc
ChEBI ID CHEBI:52472
ChEBI ASCII Name alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-D-GlcpNAc
Definition A linear amino trisaccharide consisting of α-neuraminyl, β-D-galactosyl and N-acetyl-D-glucosamine residues linked in a (2→3) and (1→4) sequence.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Phani Vijay Garapati
Supplier Information ChemicalBook:CB1454369, eMolecules:520938, ZINC000000001669
Download Molfile XML SDF
Formula C25H42N2O19
Net Charge 0
Average Mass 674.60300
Monoisotopic Mass 674.23818
InChI InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/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
InChIKey GVXWGQLSDZJHFY-DIZWBPKDSA-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](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
ChEBI Ontology
Outgoing α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:52472) is a glucosamine oligosaccharide (CHEBI:22485)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:52472) is a trisaccharide derivative (CHEBI:63571)
Incoming α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71612) is a α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:52472)
IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms Sources
α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamine ChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-D-GlcNAc JCBN
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamine ChEBI
WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2 GlyTouCan
Manual Xrefs Databases
G00253 KEGG GLYCAN
G10203DW GlyGen
G10203DW GlyTouCan
View more database links
Registry Number Type Source
4899421 Beilstein Registry Number Beilstein
Last Modified
07 April 2021