CHEBI:71594 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc
ChEBI ID CHEBI:71594
ChEBI ASCII Name alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)]-beta-D-GlcpNAc
Definition An amino pentasaccharide consisting of two N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl units linked (1→3) and (1→4) to an N-acetyl-β-D-glucosamine residue at the reducing end.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H69N3O32
Net Charge 0
Average Mass 1127.99820
Monoisotopic Mass 1127.38642
InChI InChI=1S/C42H69N3O32/c1-11(51)43-21-14(54)4-41(39(65)66,74-31(21)24(58)16(56)6-46)76-34-26(60)18(8-48)70-37(28(34)62)72-30-20(10-50)69-36(64)23(45-13(3)53)33(30)73-38-29(63)35(27(61)19(9-49)71-38)77-42(40(67)68)5-15(55)22(44-12(2)52)32(75-42)25(59)17(57)7-47/h14-38,46-50,54-64H,4-10H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)(H,65,66)(H,67,68)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+,33+,34-,35-,36+,37-,38-,41-,42-/m0/s1
InChIKey MJLWBGNNRFKTKY-AAOFEPKHSA-N
SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:71594) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:71594) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:71594) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms Sources
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)]-β-D-GlcNAc ChEBI
β-D-glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy- ChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucosamine ChEBI
Neu5Aca2-3Galb1-4(Neu5Aca2-3Galb1-3)GlcNAcb ChEBI
Neu5Acα2-3Galβ1-3(Neu5Acα2-3Galβ1-4)GlcNAcβ ChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranose ChEBI
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3/a3-b1_a4-d1_b3-c2_d3-e2 GlyTouCan
Manual Xrefs Databases
G03044ED GlyTouCan
G03044ED GlyGen
View more database links
Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
25 June 2024