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

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ChEBI Name N-acetyl-9-O-acetyl-2-O-methyl-α-neuraminic acid
ChEBI ID CHEBI:145416
ChEBI ASCII Name N-acetyl-9-O-acetyl-2-O-methyl-alpha-neuraminic acid
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
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Formula C14H23NO10
Net Charge 0
Average Mass 365.335
Monoisotopic Mass 365.13220
InChI InChI=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
InChIKey NIEBVOWRRSQMQG-KXEMTNKZSA-N
SMILES C(O)([C@@]1(OC)C[C@H](O)[C@@H](NC(=O)C)[C@@H](O1)[C@H](O)[C@H](O)COC(=O)C)=O
ChEBI Ontology
Outgoing 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 Sources
2-O-methyl-5-N-acetyl-α-D-neuraminic acid ChEBI
methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosidonic acid ChEBI
Manual Xref Database
MJJ PDBeChem
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Citations Waiting for Citations Types Sources
26524514 PubMed citation Europe PMC
31160783 PubMed citation SUBMITTER
Last Modified
20 November 2019