EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:53465 - α-L-Fucp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc

ChEBI IDCHEBI:53465
ChEBI Nameα-L-Fucp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc
Stars
ASCII Namealpha-L-Fucp-(1->3)-[alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)]-D-GlcpNAc
DefinitionA branched amino hexasaccharide compound consisting of a GlcNAc residue at the reducing end with a Man-α(1→3)-[Man-α(1→6)]-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 Modified17 December 2021
SubmitterSteve
DownloadsMolfile
FormulaC40H68N2O30
Net Charge0
Average Mass1056.968
Monoisotopic Mass1056.38569
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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,6,5/[a2122h-1x_1-5_2*NCC/3=O][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-5-5/a3-b1_a4-c1_c4-d1_d3-e1_d6-f1
InChIInChI=1S/C40H68N2O30/c1-9-19(49)24(54)28(58)38(63-9)71-33-18(42-11(3)48)35(61)64-15(7-46)32(33)70-36-17(41-10(2)47)23(53)31(14(6-45)67-36)69-40-30(60)34(72-39-29(59)26(56)21(51)13(5-44)66-39)22(52)16(68-40)8-62-37-27(57)25(55)20(50)12(4-43)65-37/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/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+,40-/m0/s1
InChIKeyMTUCPVGHGILPNY-JSZKFYPPSA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
α-L-Fucp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc (CHEBI:53465) has role allergen (CHEBI:50904)
α-L-Fucp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc (CHEBI:53465) is a amino hexasaccharide (CHEBI:61855)
α-L-Fucp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc (CHEBI:53465) is a high-mannose oligosaccharide (CHEBI:5717)
Incoming Relation(s)
α-L-Fucp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc-yl group (CHEBI:131911) is substituent group from α-L-Fucp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)]-D-GlcpNAc (CHEBI:53465)
IUPAC Name 
α-L-fucopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
MMF3ChEBI
α-L-Fuc-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)]-D-GlcNAcChEBI
Fuc-α-(1→3)-[Man-α-(1→3)-[Man-α-(1→6)]-Man-β-(1→4)-GlcNAc-β-(1→4)]-GlcNAcChEBI
L-Fuc-α-(1→3)-[D-Man-α-(1→3)-[D-Man-α-(1→6)]-D-Man-β-(1→4)-D-GlcNAc-β-(1→4)]-D-GlcNAcChEBI
Manual XrefsDatabases
G92612ZMGlyTouCan
G92612ZMGlyGen
Citations