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CHEBI:59048 - α-D-GalpNAc-(1→2)-α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-Glcp-(1→3)-D-GalNAc-ol

ChEBI IDCHEBI:59048
ChEBI Nameα-D-GalpNAc-(1→2)-α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-Glcp-(1→3)-D-GalNAc-ol
Stars
ASCII Namealpha-D-GalpNAc-(1->2)-alpha-L-Fucp-(1->3)-[beta-D-GalpNAc-(1->4)]-beta-D-Glcp-(1->3)-D-GalNAc-ol
DefinitionAn allergenic amino pentasaccharide which constitutes the minimal structural unit for eliciting sea squirt allergy in the skin of susceptible patients.
Last Modified12 March 2019
Submitterzjosephs
DownloadsMolfile
FormulaC38H66N4O25
Net Charge0
Average Mass978.949
Monoisotopic Mass978.40161
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](NC(C)=O)[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O
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)66-33-23(42-15(5)51)37(64-31(25(54)17(52)7-44)16(6-43)39-12(2)48)63-20(10-47)32(33)65-35-21(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
InChIKeySBWVKIQIIRVDFC-YDJKHBCDSA-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)
α-D-GalpNAc-(1→2)-α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-Glcp-(1→3)-D-GalNAc-ol (CHEBI:59048) has role carbohydrate allergen (CHEBI:143231)
α-D-GalpNAc-(1→2)-α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-Glcp-(1→3)-D-GalNAc-ol (CHEBI:59048) is a amino pentasaccharide (CHEBI:59268)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→2)-α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactitol
Synonyms  Source
Gp-1β-b6ChEBI
GalNAcβ(1→4)[GalNAcα(1→2)Fucα(1→3)]GlcNAcβ(1→3)GalNAc-olChEBI
β-D-GalpNAc-(1→4)-[α-D-GalpNAc-1→2-α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-D-GalNAc-olChEBI
GalNAcβ(1-4)[GalNAcα(1-2)Fucα(1-3)]GlcNAcβ(1-3)GalNAc-olChEBI
GalNAc(α1-2)Fuc(α1-3)[GalNAc(β1-4)]GlcNAc(β1-3)GalNAc-olChEBI
GalNAc(α1→2)Fuc(α1→3)[GalNAc(β1→4)]GlcNAc(β1→3)GalNAc-olChEBI
Citations