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CHEBI:90509 - β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:90509
ChEBI Nameβ-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Namebeta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp
DefinitionA branched amino heptasaccharide consisting of a linear tetrasaccharide of β-D-galactose, N-acetyl-β-D-galactosamine, β-D-galactose and β-D-glucose residues linked sequentially (1→3), (1→4) and (1→4), to the galactose residue proximal to the reducing end is also linked (2→3) an N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl trisaccharide side-chain. The carbohydrate moiety of ganglioside GT1c.
Last Modified27 March 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC59H96N4O45
Net Charge0
Average Mass1581.400
Monoisotopic Mass1580.53466
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@]2([H])O[C@@](O[C@H](CO)[C@@H](O)[C@]3([H])O[C@@](O[C@@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@H](CO)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)(C(=O)O)C[C@H](O)[C@H]3NC(C)=O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,7,6/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-3-3-4-2/a4-b1_b3-c2_b4-f1_c8-d2_d8-e2_f3-g1
InChIInChI=1S/C59H96N4O45/c1-15(71)60-29-19(75)5-57(54(90)91,105-46(29)33(79)22(78)8-64)103-25(11-67)36(82)47-30(61-16(2)72)20(76)6-58(106-47,55(92)93)104-26(12-68)37(83)48-31(62-17(3)73)21(77)7-59(107-48,56(94)95)108-49-42(88)53(100-43-27(13-69)96-50(89)40(86)39(43)85)99-28(14-70)44(49)101-51-32(63-18(4)74)45(35(81)24(10-66)97-51)102-52-41(87)38(84)34(80)23(9-65)98-52/h19-53,64-70,75-89H,5-14H2,1-4H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,90,91)(H,92,93)(H,94,95)/t19-,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+,47+,48+,49+,50+,51-,52-,53-,57+,58+,59-/m0/s1
InChIKeyFHYHEPCLJMPNGB-LIVNVQCASA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:90509) is a amino heptasaccharide (CHEBI:70970)
β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:90509) is a galactosamine oligosaccharide (CHEBI:22484)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-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→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-GlcChEBI
α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl-(2→3)-[β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucoseChEBI
Galβ1-3GalNAcβ1-4(Neu5Acα2-8Neu5Acα2-8Neu5Acα2-3)Galb1-4GlcβChEBI
Galb1-3GalNAcb1-4(Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3)Galb1-4GlcbChEBI
β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucoseChEBI
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-[β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucoseChEBI
Manual XrefsDatabases
G78818SPGlyTouCan
G78818SPGlyGen
Citations