CHEBI:85047 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-α-L-Fucp-(1→3)-D-Glcp

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ChEBI Name α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-α-L-Fucp-(1→3)-D-Glcp
ChEBI ID CHEBI:85047
ChEBI ASCII Name alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-alpha-L-Fucp-(1->3)-D-Glcp
Definition An amino tetrasaccharide comprising α-N-acetylneuraminyl, β-D-galactosyl, D-glucopyranosyl and α-L-fucosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H49NO23
Net Charge 0
Average Mass 779.69230
Monoisotopic Mass 779.26954
InChI InChI=1S/C29H49NO23/c1-7-21(17(40)18(41)26(47-7)51-23-15(38)11(5-32)48-25(44)19(23)42)50-27-20(43)24(16(39)12(6-33)49-27)53-29(28(45)46)3-9(35)13(30-8(2)34)22(52-29)14(37)10(36)4-31/h7,9-27,31-33,35-44H,3-6H2,1-2H3,(H,30,34)(H,45,46)/t7-,9+,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21+,22-,23+,24+,25?,26-,27+,29+/m1/s1
InChIKey AWWBSTXOEBZVKE-HXVWDDMWSA-N
SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](O)C(O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O
ChEBI Ontology
Outgoing α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-α-L-Fucp-(1→3)-D-Glcp (CHEBI:85047) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Name
(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-6-deoxy-α-D-galactopyranosyl-(1→3)-D-glucopyranose
Last Modified
26 April 2021