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CHEBI:53499 - D-GalNAc-(1→4)-D-GlcNAc-(1→6)-[D-GalNAc-(1→4)-[L-Fuc-(1→3)]-D-GlcNAc-(1→3)]-D-GalNAc-ol

ChEBI IDCHEBI:53499
ChEBI NameD-GalNAc-(1→4)-D-GlcNAc-(1→6)-[D-GalNAc-(1→4)-[L-Fuc-(1→3)]-D-GlcNAc-(1→3)]-D-GalNAc-ol
Stars
ASCII NameD-GalNAc-(1->4)-D-GlcNAc-(1->6)-[D-GalNAc-(1->4)-[L-Fuc-(1->3)]-D-GlcNAc-(1->3)]-D-GalNAc-ol
DefinitionAn oligosaccharide derivative consisting of -D-GalNAc-ol at the reducing end with a D-GalNAc-(1→4)-D-GlcNAc moiety attached via a (1→6)-linkage and a [D-GalNAc-(1→4)-[L-Fuc-(1→3)]-D-GlcNAc] moiety attached via a (1→3)-linkage.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC46H79N5O30
Net Charge0
Average Mass1182.143
Monoisotopic Mass1181.48099
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](OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[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/C46H79N5O30/c1-13-29(63)36(70)37(71)46(73-13)81-41-28(51-18(6)61)45(77-24(11-56)40(41)80-44-26(49-16(4)59)34(68)32(66)22(9-54)75-44)78-38(19(7-52)47-14(2)57)30(64)20(62)12-72-42-27(50-17(5)60)35(69)39(23(10-55)76-42)79-43-25(48-15(3)58)33(67)31(65)21(8-53)74-43/h13,19-46,52-56,62-71H,7-12H2,1-6H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)/t13-,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?,44?,45?,46?/m0/s1
InChIKeyDGNPKBLOCYSIMC-ZVEYZVCBSA-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→6)-[D-GalNAc-(1→4)-[L-Fuc-(1→3)]-D-GlcNAc-(1→3)]-D-GalNAc-ol (CHEBI:53499) has role carbohydrate allergen (CHEBI:143231)
D-GalNAc-(1→4)-D-GlcNAc-(1→6)-[D-GalNAc-(1→4)-[L-Fuc-(1→3)]-D-GlcNAc-(1→3)]-D-GalNAc-ol (CHEBI:53499) is a oligosaccharide derivative (CHEBI:63563)
IUPAC Name 
2-acetamido-2-deoxy-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranosyl-(1→6)-[2-acetamido-2-deoxy-D-galactopyranosyl-(1→4)-[6-deoxy-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-glucopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-galactitol
Synonyms  Source
HPG-Beta2-N7aChEBI
N-acetyl-D-galactosaminyl-(1→4)-N-acetyl-D-glucosaminyl-(1→6)-[N-acetyl-D-galactosaminyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-D-glucosaminyl-(1→3)]-N-acetyl-D-galactosaminitolChEBI
Citations