EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:62647 - β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-Galp

ChEBI IDCHEBI:62647
ChEBI Nameβ-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-Galp
Stars
ASCII Namebeta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-Galp
DefinitionA branched amino pentasaccharide consisting of β-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-D-galactose in which the galactosyl residue at the non-reducing end has α-sialyl and N-acetyl-β-D-glucosaminyl residues attached via glycosidic linkages at positions 3 and 4 respectively. Corresponds to the Sda + pentasaccharide from Tamm-Horsfall glycoprotein.
Secondary ChEBI IDCHEBI:140913
Last Modified11 September 2023
SubmitterBijay, Steve
DownloadsMolfile
FormulaC39H65N3O29
Net Charge0
Average Mass1039.941
Monoisotopic Mass1039.37037
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](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4O)O[C@@H]3CO)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=2.0/5,5,4/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_b4-c1_c3-d2_c4-e1
InChIInChI=1S/C39H65N3O29/c1-10(48)40-19-13(51)4-39(38(61)62,70-31(19)22(53)14(52)5-43)71-33-28(59)37(66-18(9-47)30(33)68-35-20(41-11(2)49)25(56)23(54)15(6-44)64-35)67-29-17(8-46)65-36(21(26(29)57)42-12(3)50)69-32-24(55)16(7-45)63-34(60)27(32)58/h13-37,43-47,51-60H,4-9H2,1-3H3,(H,40,48)(H,41,49)(H,42,50)(H,61,62)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29+,30-,31+,32-,33+,34?,35-,36-,37-,39-/m0/s1
InChIKeyFSHVDDBXSOOGMA-CKRVADEWSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-Galp (CHEBI:62647) is a amino pentasaccharide (CHEBI:59268)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-Galp (CHEBI:62647) is a galactosamine oligosaccharide (CHEBI:22484)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-Galp (CHEBI:62647) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-GalNAc-(1→3)-D-Gal group (CHEBI:91129) is substituent group from β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-Galp (CHEBI:62647)
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→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-D-galactopyranose
Synonyms  Source
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-D-GalChEBI
(Gal)2 (GalNAc)1 (GlcNAc)1 (Neu5Ac)1KEGG GLYCAN
Sda antigenKEGG GLYCAN
R-Gal-beta1,3-GlcNAc-beta1,4-Gal-(beta1,4-GalNAc)-alpha2,3-Neu5AcSUBMITTER
Manual XrefsDatabases
G00736KEGG GLYCAN
G83633HBGlyTouCan
G83633HBGlyGen
Citations