Chem
J-GLOBAL ID：200907019289599820   Nikkaji number：J62.824G

N-Acetylaspartic acid

N-アセチルアスパラギン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C6H9NO5
Molecular formula furigana： C6-H9-N-O5
Molecular weight： 175.140
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
SMILES： CC(=O)N[C@@H](CC(=O)O)C(=O)O
Systematic name  (6)：
  • N-アセチルアスパラギン酸
  • (S)-2-(アセチルアミノ)ブタン二酸
  • N-アセチル-L-アスパラギン酸
  • Ac-L-Asp-OH
  • (2S)-2-アセトアミドブタン二酸
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Other name (5)：
  • N-Acetyl-L-aspartic acid
  • N-Acetylaspartate
  • N-Acetylaspartic acid
  • (S)-2-(Acetylamino)butanedioic acid
  • N-Acetyl-L-aspartate
CAS registry number： 997-55-7
Regulation number (2)：
  • (9)-1550
  • EINECS2136439
KEGG COMPOUND： C01042
Application (1)：
metabolite
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