Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 00:37:40 UTC
Update Date2022-08-31 17:58:58 UTC
Metabolite IDMMDBc0031157
Metabolite Identification
Common NameN-acetylneuraminate
DescriptionA ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group
Structure
Synonyms
ValueSource
5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acidChEBI
Aceneuramic acidChEBI
Acide aceneuramiqueChEBI
Acidium aceneuramicumChEBI
Acido aceneuramicoChEBI
Neu5acChEBI
NeuAcChEBI
O-Sialic acidChEBI
N-Acetylneuraminic acidKegg
5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonateGenerator
AceneuramateGenerator
O-SialateGenerator
Acid, N-acetylneuraminicMeSH
N Acetylneuraminic acidMeSH
Sialic acidMeSH
Acid, sialicMeSH
Molecular FormulaC11H19NO9
Average Mass309.2699
Monoisotopic Mass309.105981211
IUPAC Name(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Traditional NameNeuAc
CAS Registry Number131-48-6
SMILES
[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO
InChI Identifier
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1
InChI KeySQVRNKJHWKZAKO-LUWBGTNYSA-N