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CHEBI:87005 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc

ChEBI IDCHEBI:87005
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc
Definitionα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc in which the anomeric configuration of the GalNAc residue at the reducing end is α.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC50H82N4O37
Net Charge0
Average Mass1331.197
Monoisotopic Mass1330.46579
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[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)O[C@H](O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,6,5/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-3/a3-b1_a6-d1_b3-c2_d4-e1_e3-f2
InChIInChI=1S/C50H82N4O37/c1-13(60)51-25-17(64)5-49(47(77)78,88-39(25)29(68)19(66)7-55)90-41-31(70)21(9-57)83-45(35(41)74)86-37-23(11-59)85-44(27(34(37)73)53-15(3)62)81-12-24-33(72)38(28(43(76)82-24)54-16(4)63)87-46-36(75)42(32(71)22(10-58)84-46)91-50(48(79)80)6-18(65)26(52-14(2)61)40(89-50)30(69)20(67)8-56/h17-46,55-59,64-76H,5-12H2,1-4H3,(H,51,60)(H,52,61)(H,53,62)(H,54,63)(H,77,78)(H,79,80)/t17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,49-,50-/m0/s1
InChIKeyASGIYJFFOLGEPX-VEAGEAPUSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:87005) is a α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:71595)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-[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→6)]-α-D-galactopyranose
Synonyms  Source
Neu5Acα2-3Galβ1-3(Neu5Acα2-3Galβ1-4GlcNAcβ1-6)GalNAcαChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-α-D-GalNAcChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-α-D-galactoseChEBI
Neu5Aca2-3Galb1-4GlcNAcb1-6(Neu5Aca2-3Galb1-3)GalNAcaChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-2-(acetylamino)-2-deoxy-α-D-galactopyranoseChEBI
Manual XrefsDatabases
G60890ZTGlyTouCan
G60890ZTGlyGen
Citations