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CHEBI:53494 - D-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc-(1→3)-D-GalNAc-ol

ChEBI IDCHEBI:53494
ChEBI NameD-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc-(1→3)-D-GalNAc-ol
Stars
ASCII NameD-GalNAc-(1->3)-[D-GalNAc-(1->2)-L-Fuc-(1->4)]-D-GlcNAc-(1->3)-D-GalNAc-ol
DefinitionA branched amino pentasaccharide compound consisting of a D-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc moiety attached to N-acetyl-D-galactosaminitol via a (1→3)-linkage.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC38H66N4O25
Net Charge0
Average Mass978.949
Monoisotopic Mass978.40161
SMILESCC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C38H66N4O25/c1-11-24(53)30(59)34(67-36-22(41-14(4)50)29(58)27(56)19(9-46)62-36)38(60-11)65-32-20(10-47)63-37(64-31(25(54)17(52)7-44)16(6-43)39-12(2)48)23(42-15(5)51)33(32)66-35-21(40-13(3)49)28(57)26(55)18(8-45)61-35/h11,16-38,43-47,52-59H,6-10H2,1-5H3,(H,39,48)(H,40,49)(H,41,50)(H,42,51)/t11-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28+,29+,30+,31+,32+,33+,34-,35?,36?,37?,38?/m0/s1
InChIKeyKTORCXNYVSITPJ-HVJCJEIDSA-N
Roles Classification
Biological Role:
carbohydrate allergen  Any carbohydrate, carbohydrate derivative or derived substituent group which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
D-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc-(1→3)-D-GalNAc-ol (CHEBI:53494) has role carbohydrate allergen (CHEBI:143231)
D-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc-(1→3)-D-GalNAc-ol (CHEBI:53494) is a amino pentasaccharide (CHEBI:59268)
IUPAC Name 
2-acetamido-2-deoxy-D-galactopyranosyl-(1→3)-[2-acetamido-2-deoxy-D-galactopyranosyl-(1→2)-L-fucopyranosyl-(1→4)]-2-acetamido-2-deoxy-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactitol
Synonyms  Source
HPG-Beta2-N5aChEBI
D-GalpNAc-(1→3)-[D-GalpNAc-(1→2)-L-Fucp-(1→4)]-D-GlcpNAc-(1→3)-D-GalNAc-olJCBN
Citations