Chem
J-GLOBAL ID:200907092968316704
Nikkaji number:J527.824D
Isovalerylcarnitine
イソバレリルカルニチン
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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:
C12 H23 [N+]O3 [O-]
Molecular formula furigana:
C12-H23-N-O4
Molecular weight:
245.319
InChI:
InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChI key:
IGQBPDJNUXPEMT-SNVBAGLBSA-N
SMILES:
CC(C)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
Systematic name (5):
(R)-N,N,N-トリメチル-2-[(3-メチルブチリル)オキシ]-3-カルボキシラト-1-プロパンアミニウム
(R)-3-カルボキシラト-2-(イソバレリルオキシ)-N,N,N-トリメチル-1-プロパンアミニウム
(2R)-3-カルボキシラト-2-(3-メチルブチリルオキシ)-N,N,N-トリメチル-1-プロパンアミニウム
(3R)-3-[(3-メチルブタノイル)オキシ]-4-(トリメチルアザニウミル)ブタノアート
(3R)-3-[(3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Other name (3):
イソバレリルカルニチン
Isovalerylcarnitine
(2R)-3-Carboxylato-2-(3-methylbutyryloxy)-N,N,N-trimethyl-1-propanaminium
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