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CHEBI:145416 - N-acetyl-9-O-acetyl-2-O-methyl-α-neuraminic acid

ChEBI IDCHEBI:145416
ChEBI NameN-acetyl-9-O-acetyl-2-O-methyl-α-neuraminic acid
Stars
ASCII NameN-acetyl-9-O-acetyl-2-O-methyl-alpha-neuraminic acid
DefinitionA member of the class of N-acetylneuraminic acids that is N-acetyl-9-O-acetyl-α-neuraminic acid in which the hydroxy group at position 2 (adjacent to the carboxy group) has been methylated to give the corresponding methoxy group.
Last Modified20 November 2019
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC14H23NO10
Net Charge0
Average Mass365.335
Monoisotopic Mass365.13220
SMILESCO[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O1
InChIInChI=1S/C14H23NO10/c1-6(16)15-10-8(18)4-14(23-3,13(21)22)25-12(10)11(20)9(19)5-24-7(2)17/h8-12,18-20H,4-5H2,1-3H3,(H,15,16)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
InChIKeyNIEBVOWRRSQMQG-KXEMTNKZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-9-O-acetyl-2-O-methyl-α-neuraminic acid (CHEBI:145416) has functional parent N-acetyl-9-O-acetyl-α-neuraminic acid (CHEBI:84941)
N-acetyl-9-O-acetyl-2-O-methyl-α-neuraminic acid (CHEBI:145416) is a N-acetylneuraminic acids (CHEBI:21622)
N-acetyl-9-O-acetyl-2-O-methyl-α-neuraminic acid (CHEBI:145416) is a acetate ester (CHEBI:47622)
N-acetyl-9-O-acetyl-2-O-methyl-α-neuraminic acid (CHEBI:145416) is a cyclic acetal (CHEBI:59770)
IUPAC Name 
methyl 5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosidonic acid
Synonyms  Source
2-O-methyl-5-N-acetyl-α-D-neuraminic acidChEBI
methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosidonic acidChEBI
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