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CHEBI:62304 - methyl N-acetyl-β-neuraminate

Default Structure
ChEBI IDCHEBI:62304
ChEBI Namemethyl N-acetyl-β-neuraminate
Stars
ASCII Namemethyl N-acetyl-beta-neuraminate
Last Modified14 June 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H21NO9
Net Charge0
Average Mass323.298
Monoisotopic Mass323.12163
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)OC)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=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
InChIKeyBKZQMWNJESHHSA-AGNBLMTLSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl N-acetyl-β-neuraminate (CHEBI:62304) is a unclassifieds (CHEBI:27189)