EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53469 - α-L-Fucp-(1→3)-[α-D-Manp-(1→6)-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc

ChEBI IDCHEBI:53469
ChEBI Nameα-L-Fucp-(1→3)-[α-D-Manp-(1→6)-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc
Stars
ASCII Namealpha-L-Fucp-(1->3)-[alpha-D-Manp-(1->6)-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)]-D-GlcpNAc
DefinitionA branched amino hexasaccharide consisting of a GlcNAc residue at the reducing end with a Man-α(1→6)-[Xyl-β(1→2)]-Man-β(1→4)-GlcNAc moiety attached via a β-(1→4)-linkage and a Fuc residue attached via an α-(1→3)-linkage.
Last Modified7 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC39H66N2O29
Net Charge0
Average Mass1026.942
Monoisotopic Mass1026.37512
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](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,6,5/[a2122h-1x_1-5_2*NCC/3=O][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-5-6/a3-b1_a4-c1_c4-d1_d2-e1_d6-f1
InChIInChI=1S/C39H66N2O29/c1-9-19(48)24(53)29(58)38(62-9)69-32-18(41-11(3)46)34(59)63-15(6-44)31(32)68-35-17(40-10(2)45)23(52)30(14(5-43)65-35)67-39-33(70-37-27(56)20(49)12(47)7-60-37)26(55)22(51)16(66-39)8-61-36-28(57)25(54)21(50)13(4-42)64-36/h9,12-39,42-44,47-59H,4-8H2,1-3H3,(H,40,45)(H,41,46)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25-,26-,27+,28-,29-,30+,31+,32+,33-,34?,35-,36-,37-,38-,39-/m0/s1
InChIKeyUNMLVGNWZDHBRA-UFAVQCRNSA-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-L-Fucp-(1→3)-[α-D-Manp-(1→6)-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc (CHEBI:53469) has role carbohydrate allergen (CHEBI:143231)
α-L-Fucp-(1→3)-[α-D-Manp-(1→6)-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc (CHEBI:53469) is a amino hexasaccharide (CHEBI:61855)
IUPAC Name 
α-L-fucopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→6)-[β-D-xylopyranosyl-(1→2)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
M0XF3ChEBI
carbohydrate moiety of bromelainChEBI
MUXFChEBI
Fuc-α-(1→3)-[Man-α-(1→6)-[Xyl-β-(1→2)]-Man-β-(1→4)-GlcNAc-β-(1→4)]-GlcNAcChEBI
α-L-Fuc-(1→3)-[α-D-Man-(1→6)-[β-D-Xyl-(1→2)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)]-D-GlcNAcChEBI
α-L-fucosyl-(1→3)-[α-D-mannosyl-(1→6)-[β-D-xylosyl-(1→2)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)]-N-acetyl-D-glucosamineChEBI
Manual XrefsDatabases
G64799PDGlyTouCan
G64799PDGlyGen
Registry NumbersSources
Reaxys:11224917Reaxys
Citations