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CHEBI:197340 - α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamine 6-sulfate(2−)

ChEBI IDCHEBI:197340
ChEBI Nameα-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamine 6-sulfate(2−)
Stars
ASCII Namealpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosamine 6-sulfate(2-)
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H40N2O22S
Net Charge-2
Average Mass752.654
Monoisotopic Mass752.18044
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3COS(=O)(=O)[O-])O[C@@H]2CO)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C25H42N2O22S/c1-7(30)26-13-9(32)3-25(24(39)40,49-21(13)15(34)10(33)4-28)48-20-11(5-29)46-23(18(37)17(20)36)47-19-12(6-44-50(41,42)43)45-22(38)14(16(19)35)27-8(2)31/h9-23,28-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,39,40)(H,41,42,43)/p-2/t9-,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20-,21+,22?,23-,25+/m0/s1
InChIKeyYJVPINIUOLHXAF-XQCNPUDTSA-L
ChEBI Ontology
Outgoing Relation(s)
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamine 6-sulfate(2−) (CHEBI:197340) is a organosulfate oxoanion (CHEBI:58958)
UniProt Name  Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-6S-D-GlcNAcUniProt
Citations