CHEBI:65099 - α-Neup5Ac-(2→8)-β-Neup5Ac

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→8)-β-Neup5Ac
ChEBI ID CHEBI:65099
ChEBI ASCII Name alpha-Neup5Ac-(2->8)-beta-Neup5Ac
Definition α-Neu5Ac-(2→8)-Neu5Ac in which the configuration at the anomeric carbon atom of the residue at the reducing end is β.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H36N2O17
Net Charge 0
Average Mass 600.52440
Monoisotopic Mass 600.20140
InChI InChI=1S/C22H36N2O17/c1-7(27)23-13-9(29)3-21(38,19(34)35)40-18(13)16(33)12(6-26)39-22(20(36)37)4-10(30)14(24-8(2)28)17(41-22)15(32)11(31)5-25/h9-18,25-26,29-33,38H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,21-,22+/m0/s1
InChIKey LWXBZLHHWJUOSV-CWRSNZJLSA-N
SMILES [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O
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→8)-β-Neup5Ac (CHEBI:65099) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→8)-β-Neup5Ac (CHEBI:65099) is a α-Neu5Ac-(2→8)-Neu5Ac (CHEBI:62078)
IUPAC Names
(6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonic acid
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranosonic acid
Synonyms Sources
α-Neu5Ac-(2→8)-β-Neu5Ac ChEBI
Neu5Acα2-8Neu5Acβ ChEBI
NeuAc(α2-8)NeuAcβ ChEBI
NeuAc(α2→8)NeuAcβ ChEBI
WURCS=2.0/2,2,1/[Aad21122h-2b_2-6_5*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a8-b2 GlyTouCan
Manual Xrefs Databases
G50645ZL GlyTouCan
G50645ZL GlyGen
View more database links
Registry Number Type Source
7065587 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
36988069 PubMed citation Europe PMC
Last Modified
03 May 2023