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CHEBI:53495 - D-GalNAc-(1→4)-D-GlcNAc-(1→3)-[D-GalNAc-(1→4)-D-GlcNAc-(1→6)]-D-GalNAc-ol

ChEBI IDCHEBI:53495
ChEBI NameD-GalNAc-(1→4)-D-GlcNAc-(1→3)-[D-GalNAc-(1→4)-D-GlcNAc-(1→6)]-D-GalNAc-ol
Stars
ASCII NameD-GalNAc-(1->4)-D-GlcNAc-(1->3)-[D-GalNAc-(1->4)-D-GlcNAc-(1->6)]-D-GalNAc-ol
DefinitionAn oligosaccharide derivative consisting of -D-GalNAc-ol at the reducing end with two D-GalNAc-(1→4)-D-GlcNAc moities attached via (1→3)- and (1→6)-linkages.
Last Modified20 May 2020
SubmitterSteve
DownloadsMolfile
FormulaC40H69N5O26
Net Charge0
Average Mass1036.001
Monoisotopic Mass1035.42308
SMILESCC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)COC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C40H69N5O26/c1-12(51)41-17(6-46)34(69-40-26(45-16(5)55)33(63)36(22(10-50)68-40)71-39-24(43-14(3)53)31(61)29(59)20(8-48)66-39)27(57)18(56)11-64-37-25(44-15(4)54)32(62)35(21(9-49)67-37)70-38-23(42-13(2)52)30(60)28(58)19(7-47)65-38/h17-40,46-50,56-63H,6-11H2,1-5H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54)(H,45,55)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37?,38?,39?,40?/m0/s1
InChIKeyBEMKYWCTWHPNFW-GULFZJIVSA-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→4)-D-GlcNAc-(1→3)-[D-GalNAc-(1→4)-D-GlcNAc-(1→6)]-D-GalNAc-ol (CHEBI:53495) has role carbohydrate allergen (CHEBI:143231)
D-GalNAc-(1→4)-D-GlcNAc-(1→3)-[D-GalNAc-(1→4)-D-GlcNAc-(1→6)]-D-GalNAc-ol (CHEBI:53495) is a glucosamine oligosaccharide (CHEBI:22485)
D-GalNAc-(1→4)-D-GlcNAc-(1→3)-[D-GalNAc-(1→4)-D-GlcNAc-(1→6)]-D-GalNAc-ol (CHEBI:53495) is a oligosaccharide derivative (CHEBI:63563)
IUPAC Name 
2-acetamido-2-deoxy-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranosyl-(1→3)-[2-acetamido-2-deoxy-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-galactitol
Synonyms  Source
HPG-Beta2-N6ChEBI
D-GalpNAc-(1→4)-D-GlcpNAc-(1→3)-[D-GalpNAc-(1→4)-D-GlcpNAc-(1→6)]-D-GalNAc-olJCBN
Citations