CHEBI:71603 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S

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ChEBI Name α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S
ChEBI ID CHEBI:71603
ChEBI ASCII Name alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-alpha-D-GalpNAc6S
Definition A linear amino trisaccharide comprising N-acetyl-α-neuraminic acid, β-D-galactose and N-acetyl-6-O-sulfo-α-D-galactosamine residues linked sequentially (2→3) and (1→3).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H42N2O22S
Net Charge 0
Average Mass 754.66600
Monoisotopic Mass 754.19499
InChI InChI=1S/C25H42N2O22S/c1-7(30)26-13-9(32)3-25(24(39)40,48-20(13)15(34)10(33)4-28)49-21-16(35)11(5-29)46-23(18(21)37)47-19-14(27-8(2)31)22(38)45-12(17(19)36)6-44-50(41,42)43/h9-23,28-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,22-,23-,25-/m0/s1
InChIKey HYRSALCAGYOCTO-HGZOWQQDSA-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](O)[C@@H](COS(O)(=O)=O)O[C@H](O)[C@@H]2NC(C)=O)[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-D-GalpNAc6S (CHEBI:71603) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S (CHEBI:71603) is a amino trisaccharide (CHEBI:59266)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S (CHEBI:71603) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S (CHEBI:71603) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-6-O-sulfo-α-D-galactopyranose
Synonyms Sources
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-6-O-sulfo-α-D-galactosamine ChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-α-D-GalNAc6S ChEBI
Neu5Aca2-3Galb1-3(6S)GalNAca ChEBI
Neu5Acα2-3Galβ1-3[6OSO3]GalNAcα ChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-α-D-galactopyranose, 6-(hydrogen sulfate) ChEBI
WURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_b3-c2 GlyTouCan
Manual Xrefs Databases
G92252GS GlyGen
G92252GS GlyTouCan
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Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
09 May 2023