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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name D-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc-(1→3)-D-GalNAc-ol
ChEBI ID CHEBI:53494
ChEBI ASCII Name D-GalNAc-(1->3)-[D-GalNAc-(1->2)-L-Fuc-(1->4)]-D-GlcNAc-(1->3)-D-GalNAc-ol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H66N4O25
Net Charge 0
Average Mass 978.94240
Monoisotopic Mass 978.40161
InChI InChI=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
InChIKey KTORCXNYVSITPJ-HVJCJEIDSA-N
SMILES C[C@@H]1OC(O[C@@H]2[C@@H](CO)OC(O[C@H]([C@H](CO)NC(C)=O)[C@@H](O)[C@H](O)CO)[C@H](NC(C)=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](O)[C@@H]1O
Roles Classification
Biological Role(s): carbohydrate allergen
Any carbohydrate, carbohydrate derivative or derived substituent group which causes the onset of an allergic reaction.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
D-GalpNAc-(1→3)-[D-GalpNAc-(1→2)-L-Fucp-(1→4)]-D-GlcpNAc-(1→3)-D-GalNAc-ol JCBN
HPG-Beta2-N5a ChEBI
Citation Waiting for Citations Type Source
2817893 PubMed citation Europe PMC
Last Modified
12 March 2019