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CHEBI:62290 - ethyl N-acetylneuraminate

ChEBI IDCHEBI:62290
ChEBI Nameethyl N-acetylneuraminate
Stars
ASCII Nameethyl N-acetylneuraminate
DefinitionThe carboxylic ester that is the ethyl ester of N-acetylneuraminic acid.
Last Modified2 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H23NO9
Net Charge0
Average Mass337.325
Monoisotopic Mass337.13728
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)OC(O)(C(=O)OCC)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C13H23NO9/c1-3-22-12(20)13(21)4-7(17)9(14-6(2)16)11(23-13)10(19)8(18)5-15/h7-11,15,17-19,21H,3-5H2,1-2H3,(H,14,16)/t7-,8+,9+,10+,11+,13?/m0/s1
InChIKeyBUPUCDUZUNSEOP-CHNADMEASA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl N-acetylneuraminate (CHEBI:62290) has functional parent N-acetylneuraminic acid (CHEBI:17012)
ethyl N-acetylneuraminate (CHEBI:62290) is a acetamides (CHEBI:22160)
ethyl N-acetylneuraminate (CHEBI:62290) is a ethyl ester (CHEBI:23990)
IUPAC Name 
ethyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate
Registry NumbersSources
Reaxys:15845638Reaxys
Citations