CHEBI:62303 - methyl N-acetylneuraminate

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ChEBI Name methyl N-acetylneuraminate ChEBI ID CHEBI:62303 ChEBI ASCII Name methyl N-acetylneuraminate Definition The carbohydrate acid ester that is the methyl ester of N-acetylneuraminic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H21NO9 Net Charge 0 Average Mass 323.29640 Monoisotopic Mass 323.12163 InChI InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10+,12?/m0/s1 InChIKey BKZQMWNJESHHSA-PQYSTZNASA-N SMILES [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(=O)OC)[C@H](O)[C@H](O)CO ChEBI Ontology Outgoing methyl N-acetylneuraminate (CHEBI:62303) has functional parent N-acetylneuraminic acid (CHEBI:17012) methyl N-acetylneuraminate (CHEBI:62303) is a carbohydrate acid ester (CHEBI:37696) IUPAC Name methyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate Citation Type Source 18487279 PubMed citation Europe PMC Last Modified 14 June 2011