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CHEBI:53500 - D-GalNAc-(1→4)-[L-Fuc-(1→3)]D-GlcNAc-(1→3)-[D-GalNAc-(1→4)-[L-Fuc-(1→3)]-D-GlcNAc-(1→6)]-D-GalNAc-ol

ChEBI IDCHEBI:53500
ChEBI NameD-GalNAc-(1→4)-[L-Fuc-(1→3)]D-GlcNAc-(1→3)-[D-GalNAc-(1→4)-[L-Fuc-(1→3)]-D-GlcNAc-(1→6)]-D-GalNAc-ol
Stars
ASCII NameD-GalNAc-(1->4)-[L-Fuc-(1->3)]D-GlcNAc-(1->3)-[D-GalNAc-(1->4)-[L-Fuc-(1->3)]-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)-[L-Fuc-(1→3)]-D-GlcNAc] moieties attached via (1→3)- and (1→6)-linkages.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC52H89N5O34
Net Charge0
Average Mass1328.285
Monoisotopic Mass1327.53889
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](OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O
InChIInChI=1S/C52H89N5O34/c1-14-31(69)38(76)40(78)51(81-14)90-45-29(56-19(6)66)47(85-25(11-61)43(45)88-48-27(54-17(4)64)36(74)34(72)23(9-59)83-48)80-13-22(68)33(71)42(21(8-58)53-16(3)63)87-50-30(57-20(7)67)46(91-52-41(79)39(77)32(70)15(2)82-52)44(26(12-62)86-50)89-49-28(55-18(5)65)37(75)35(73)24(10-60)84-49/h14-15,21-52,58-62,68-79H,8-13H2,1-7H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)/t14-,15-,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+,47?,48?,49?,50?,51?,52?/m0/s1
InChIKeyGTRMCNRIZOQICT-NCFQHVMHSA-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)-[L-Fuc-(1→3)]D-GlcNAc-(1→3)-[D-GalNAc-(1→4)-[L-Fuc-(1→3)]-D-GlcNAc-(1→6)]-D-GalNAc-ol (CHEBI:53500) has role carbohydrate allergen (CHEBI:143231)
D-GalNAc-(1→4)-[L-Fuc-(1→3)]D-GlcNAc-(1→3)-[D-GalNAc-(1→4)-[L-Fuc-(1→3)]-D-GlcNAc-(1→6)]-D-GalNAc-ol (CHEBI:53500) is a oligosaccharide derivative (CHEBI:63563)
IUPAC Name 
2-acetamido-2-deoxy-D-galactopyranosyl-(1→4)-[L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-glucopyranosyl-(1→3)-[2-acetamido-2-deoxy-D-galactopyranosyl-(1→4)-[L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-galactitol
Synonyms  Source
HPG-Beta2-N7bChEBI
D-GalpNAc-(1→4)-[L-Fucp-(1→3)]-D-GlcpNAc-(1→3)-[D-GalpNAc-(1→4)-[L-Fucp-(1→3)]-D-GlcpNAc-(1→6)]-D-GalNAc-olJCBN
N-acetyl-D-galactosaminyl-(1→4)-[L-fucosyl-(1→3)]-N-acetyl-D-glucosaminyl-(1→3)-[N-acetyl-D-galactosaminyl-(1→4)-[L-fucoosyl-(1→3)]-N-acetyl-D-glucosaminyl-(1→6)]-N-acetyl-D-galactosaminitolChEBI
Citations