CHEBI:84941 - N-acetyl-9-O-acetyl-α-neuraminic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-9-O-acetyl-α-neuraminic acid
ChEBI ID CHEBI:84941
ChEBI ASCII Name N-acetyl-9-O-acetyl-alpha-neuraminic acid
Definition A member of the class of N-acetylneuraminic acids that is α-neuraminic acid which has acetylated on N-5 and O-9.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C13H21NO10
Net Charge 0
Average Mass 351.308
Monoisotopic Mass 351.11655
InChI InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13+/m0/s1
InChIKey NYWZBRWKDRMPAS-CTAKWSDESA-N
SMILES O1[C@]([C@@H]([C@@H](COC(=O)C)O)O)([H])[C@H](NC(=O)C)[C@@H](O)C[C@@]1(C(O)=O)O
ChEBI Ontology
Outgoing N-acetyl-9-O-acetyl-α-neuraminic acid (CHEBI:84941) has functional parent α-neuraminic acid (CHEBI:49024)
N-acetyl-9-O-acetyl-α-neuraminic acid (CHEBI:84941) is a N-acetylneuraminic acids (CHEBI:21622)
Incoming 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)
IUPAC Name
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid
Synonyms Sources
5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosonic acid, 9-acetate ChEBI
9-O-acetyl-N-acetyl-α-neuraminic acid ChEBI
αNeu5,9Ac2 ChEBI
D-glycero-α-D-galacto-2-nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, 9-acetate ChEBI
N-acetyl-9-O-acetyl-α-neuraminic acid ChEBI
Neu5,9Ac2a ChEBI
Neu5,9Ac2α ChEBI
WURCS=2.0/1,1,0/[Aad21122h-2a_2-6_5*NCC/3=O_9*OCC/3=O]/1/ GlyTouCan
Manual Xrefs Databases
G47325QT GlyTouCan
G47325QT GlyGen
View more database links
Registry Number Type Source
11202079 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17597593 PubMed citation Europe PMC
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
20 April 2024