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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-D-GalpNAc-(1→2)-α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-Glcp-(1→3)-D-GalNAc-ol
ChEBI ID CHEBI:59048
ChEBI ASCII Name alpha-D-GalpNAc-(1->2)-alpha-L-Fucp-(1->3)-[beta-D-GalpNAc-(1->4)]-beta-D-Glcp-(1->3)-D-GalNAc-ol
Definition An allergenic amino pentasaccharide which constitutes the minimal structural unit for eliciting sea squirt allergy in the skin of susceptible patients.
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)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
InChIKey SBWVKIQIIRVDFC-YDJKHBCDSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]([C@H](CO)NC(C)=O)[C@@H](O)[C@H](O)CO)[C@@H](O[C@H]2O[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 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 Sources
β-D-GalpNAc-(1→4)-[α-D-GalpNAc-1→2-α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-D-GalNAc-ol ChEBI
GalNAc(α1-2)Fuc(α1-3)[GalNAc(β1-4)]GlcNAc(β1-3)GalNAc-ol ChEBI
GalNAc(α1→2)Fuc(α1→3)[GalNAc(β1→4)]GlcNAc(β1→3)GalNAc-ol ChEBI
GalNAcβ(1-4)[GalNAcα(1-2)Fucα(1-3)]GlcNAcβ(1-3)GalNAc-ol ChEBI
GalNAcβ(1→4)[GalNAcα(1→2)Fucα(1→3)]GlcNAcβ(1→3)GalNAc-ol ChEBI
Gp-1β-b6 ChEBI
Citation Waiting for Citations Type Source
2229011 PubMed citation Europe PMC
Last Modified
12 March 2019