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CHEBI:44013 - 2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACID

Default Structure
ChEBI IDCHEBI:44013
ChEBI Name2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACID
Stars
DownloadsMolfile
FormulaC12H21NO9
Net Charge0
Average Mass323.298
Monoisotopic Mass323.12163
SMILES[H]OC(=O)[C@]1(OC([H])([H])[H])O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]
InChIInChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1
InChIKeyNJRVVFURCKKXOD-MIDKXNQYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACID (CHEBI:44013) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDPDBeChem
methyl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acidPDBeChem
Manual XrefsDatabases
MNAPDBeChem