EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:59222 - β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Gal-p-(1→4)-β-D-Glcp

ChEBI IDCHEBI:59222
ChEBI Nameβ-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Gal-p-(1→4)-β-D-Glcp
Stars
ASCII Namebeta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-D-Gal-p-(1->4)-beta-D-Glcp
DefinitionA branched amino hexasaccharide comprising a β-D-galactosyl-(1→4)-β-D-glucose disaccharide, the galactosyl residue of which carries β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl and N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl disaccharide units through (2→4) and (2→3) linkages respectively. It is the carbohydrate portion of ganglioside GD1b.
Last Modified7 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC48H79N3O37
Net Charge0
Average Mass1290.144
Monoisotopic Mass1289.43924
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]3[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@H](CO)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[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=2.0/4,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-3-4-2/a4-b1_b3-c2_b4-e1_c8-d2_e3-f1
InChIInChI=1S/C48H79N3O37/c1-12(58)49-23-15(61)4-47(45(74)75,86-38(23)26(64)17(63)6-52)85-20(9-55)29(67)39-24(50-13(2)59)16(62)5-48(87-39,46(76)77)88-40-34(72)44(82-35-21(10-56)78-41(73)32(70)31(35)69)81-22(11-57)36(40)83-42-25(51-14(3)60)37(28(66)19(8-54)79-42)84-43-33(71)30(68)27(65)18(7-53)80-43/h15-44,52-57,61-73H,4-11H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)(H,74,75)(H,76,77)/t15-,16-,17+,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-,47+,48-/m0/s1
InChIKeyWVUYXSSSMJZMFW-ZXGMIDBASA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Gal-p-(1→4)-β-D-Glcp (CHEBI:59222) is a amino hexasaccharide (CHEBI:61855)
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→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-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-GlcChEBI
GD1b carbohydrate moietyChEBI
β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-GlcChEBI
Galβ1-3GalNAcβ1-4(Neu5Acα2-8Neu5Acα2-3)Galβ1-4GlcβChEBI
β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucoseChEBI
Galb1-3GalNAcb1-4(Neu5Aca2-8Neu5Aca2-3)Galb1-4GlcbChEBI
Manual XrefsDatabases
G37184KWGlyTouCan
G37184KWGlyGen
Citations