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CHEBI:153285 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp

Default Structure
ChEBI IDCHEBI:153285
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp
DefinitionA linear amino tetrasaccharide consisting of α-neuraminyl, β-D-galactosyl and N-acetyl-β-D-glucosaminyl residues with at the reducing end β-D-galactose linked in a (2→3), (1→3) and (1→4) sequence.
Last Modified19 October 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC31H52N2O24
Net Charge0
Average Mass836.747
Monoisotopic Mass836.29100
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](O[C@@H]4[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,4,3/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-1-3/a3-b1_b4-c1_c3-d2
InChIInChI=1S/C31H52N2O24/c1-8(38)32-15-10(40)3-31(30(49)50,56-24(15)17(42)11(41)4-34)57-26-19(44)13(6-36)52-29(22(26)47)54-23-14(7-37)53-28(16(20(23)45)33-9(2)39)55-25-18(43)12(5-35)51-27(48)21(25)46/h10-29,34-37,40-48H,3-7H2,1-2H3,(H,32,38)(H,33,39)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,31-/m0/s1
InChIKeyBPCGIBLZVDENLU-NWODNYOLSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:153285) is a neuraminic acids (CHEBI:25508)
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-β-D-glucopyranosyl-(1→3)-β-D-galactopyranose
Synonyms  Source
(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidChEBI
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-β-D-galacto-hexopyranoseSUBMITTER
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosaminyl-(1→3)-β-D-galactoseChEBI
Neu5Aca2-3Galb1-4GlcNAcb1-3GalbChEBI
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)b-GalSUBMITTER
α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosaminyl-(1→3)-β-D-galactoseChEBI
Manual XrefsDatabases
G69440RDGlyGen
G69440RDGlyTouCan
Citations