EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146205 - β-D-Gal-(1→3)-{α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→6)}-α-D-GalNAc

ChEBI IDCHEBI:146205
ChEBI Nameβ-D-Gal-(1→3)-{α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→6)}-α-D-GalNAc
Stars
ASCII Namebeta-D-Gal-(1->3)-{alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->6)}-alpha-D-GalNAc
Definitionβ-D-Gal-(1→3)-{α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→6)}-D-GalNAc in which the anomeric configuration of the GalNAc residue at the reducing end is alpha.
Last Modified24 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC45H75N3O33
Net Charge0
Average Mass1186.083
Monoisotopic Mass1185.42828
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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](NC(C)=O)[C@H](OC[C@H]4O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/5,6,5/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5/a3-b1_a6-c1_c3-d1_c4-e1_e3-f2
InChIInChI=1S/C45H75N3O33/c1-11-24(58)29(63)31(65)41(72-11)79-37-23(48-14(4)55)40(71-10-20-28(62)35(22(39(68)73-20)47-13(3)54)78-42-32(66)30(64)26(60)17(7-50)74-42)76-19(9-52)34(37)77-43-33(67)38(27(61)18(8-51)75-43)81-45(44(69)70)5-15(56)21(46-12(2)53)36(80-45)25(59)16(57)6-49/h11,15-43,49-52,56-68H,5-10H2,1-4H3,(H,46,53)(H,47,54)(H,48,55)(H,69,70)/t11-,15-,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-,45-/m0/s1
InChIKeyNFMNIRJTVILQPB-GNBSTMEYSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
β-D-Gal-(1→3)-{α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→6)}-α-D-GalNAc (CHEBI:146205) is a glucosamine oligosaccharide (CHEBI:22485)
β-D-Gal-(1→3)-{α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→6)}-α-D-GalNAc (CHEBI:146205) is a β-D-Galp-(1→3)-{α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcNAc-(1→6)}-D-GalNAc (CHEBI:68608)
IUPAC Names 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonyl-(2→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galactopyranose
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonyl-(2→3)-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galactopyranose
NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Gal(b1-3)]a-GalNAc
Synonyms  Source
Galβ1-3(Neu5Acα2-3Galβ1-4(Fucα1-3)GlcNAcβ1-6)GalNAcαChEBI
N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→6)-[β-D-galactosyl-(1→3)]-N-acetyl-α-D-galactosamineChEBI
β-D-Galp-(1→3)-{α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)}-α-D-GalpNAcIUPAC
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-[6-deoxy-α-L-galacto-hexopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)-[β-D-galacto-hexopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galacto-hexopyranoseIUPAC
Manual XrefsDatabases
G41245OZGlyTouCan
G41245OZGlyGen
Citations