N-Acetylaspartic acid

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Systematic / IUPAC Name: (2S)-2-Acetamidobutanedioic acid

ID: Reference1376

Other Names: (S)-2-(Acetylamino)succinic acid;
N-Acetyl-L-aspartic acid;
Acetyl-L-aspartic acid;
L-N-Acetylaspartic acid;
L-Aspartic acid, N-acetyl-

Formula: C6H9NO5

Class: Endogenous Metabolites

Spectral Data

N-Acetylaspartic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 102
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 8/4/2025 2:11:02 PM
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Identificators

InChI InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
InChI Key OTCCIMWXFLJLIA-BYPYZUCNSA-N
Canonical SMILES CC(=O)NC(CC(=O)O)C(=O)O
CAS 997557
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Other Names (S)-2-(Acetylamino)succinic acid;
N-Acetyl-L-aspartic acid;
Acetyl-L-aspartic acid;
L-N-Acetylaspartic acid;
L-Aspartic acid, N-acetyl-;
N-Acetyl-S-aspartic acid

In Other Databases

HMDb HMDB00812
ChEMBL CHEMBL1162494
ChemIDPlus 000997557
ChEBI CHEBI:21547
Wikipedia N-Acetylaspartic acid
PubChem 65065
KEGG C01042
ChemSpider 88007; 21238987