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CHEBI:59221 - β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:59221
ChEBI Nameβ-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Namebeta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp
DefinitionAn amino hexasaccharide that is the carbohydrate portion of ganglioside GalNAc-GD1a.
Last Modified7 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC56H92N4O42
Net Charge0
Average Mass1493.338
Monoisotopic Mass1492.51861
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O5)[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]4CO)[C@@H]3NC(C)=O)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[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]/1-2-3-4-2-3-4/a4-b1_b3-c2_b4-d1_d3-e1_e3-f2_e4-g1
InChIInChI=1S/C56H92N4O42/c1-14(68)57-27-18(72)5-55(53(86)87,99-44(27)31(76)20(74)7-61)101-46-38(83)51(95-40-24(11-65)90-48(85)37(82)36(40)81)93-26(13-67)42(46)97-50-30(60-17(4)71)43(34(79)23(10-64)92-50)98-52-39(84)47(41(25(12-66)94-52)96-49-29(59-16(3)70)35(80)33(78)22(9-63)91-49)102-56(54(88)89)6-19(73)28(58-15(2)69)45(100-56)32(77)21(75)8-62/h18-52,61-67,72-85H,5-13H2,1-4H3,(H,57,68)(H,58,69)(H,59,70)(H,60,71)(H,86,87)(H,88,89)/t18-,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+,47+,48+,49-,50-,51-,52-,55-,56-/m0/s1
InChIKeyCCMSKXCJWXHQAI-VRYPMZJXSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:59221) is a amino heptasaccharide (CHEBI:70970)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[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)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-GlcChEBI
GalNAc-GD1a carbohydrate moietyChEBI
GalNAcβ(Neu5Acα2-3)Galβ1-3GalNAcβ1-4(Neu5Acα2-3)Galβ1-4GlcβChEBI
N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucoseChEBI
Manual XrefsDatabases
G92175CLGlyTouCan
G92175CLGlyGen