CHEBI:72444 - α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp
ChEBI ID CHEBI:72444
ChEBI ASCII Name alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp
Definition A linear amino pentasaccharide consisting of a chain of three α-sialyl residues, a β-D-galactosyl residue and a β-D-glucose residue linked sequentially (2→8), (2→8), (2→3) and (1→4).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C45H73N3O35
Net Charge 0
Average Mass 1216.06020
Monoisotopic Mass 1215.40246
InChI InChI=1S/C45H73N3O35/c1-12(54)46-23-15(57)4-43(40(69)70,80-34(23)26(61)18(60)7-49)78-20(9-51)28(63)35-24(47-13(2)55)16(58)5-44(81-35,41(71)72)79-21(10-52)29(64)36-25(48-14(3)56)17(59)6-45(82-36,42(73)74)83-37-27(62)19(8-50)76-39(32(37)67)77-33-22(11-53)75-38(68)31(66)30(33)65/h15-39,49-53,57-68H,4-11H2,1-3H3,(H,46,54)(H,47,55)(H,48,56)(H,69,70)(H,71,72)(H,73,74)/t15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38+,39-,43+,44+,45-/m0/s1
InChIKey BNBYYQKSOHNRMH-SRIZXVEOSA-N
SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])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](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O)C(O)=O)C(O)=O)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→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:72444) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:72444) is a amino pentasaccharide (CHEBI:59268)
IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonyl-(2→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms Sources
, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose ChEBI
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc ChEBI
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucose ChEBI
Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3Galb1-4Glcb ChEBI
Neu5Acα2-8Neu5Acα2-8Neu5Acα2-3Galβ1-4Glcβ ChEBI
Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
09 May 2023