Chem
J-GLOBAL ID：200907097975762568
Nikkaji number：J2.735.522F
3-Propylmalate
3-プロピルりんご酸
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
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
Molecular formula： C7H12O5
Molecular formula furigana： C7-H12-O5
Molecular weight： 176.168
InChI：
InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m0/s1
InChI key：
LOLHYFQEDPGSHZ-AKGZTFGVSA-N
SMILES：
CCCC([C@H](O)C(=O)O)C(=O)O
Systematic name (2)：
- (2S)-2-ヒドロキシ-3-プロピルブタン二酸
- (2S)-2-hydroxy-3-propylbutanedioic acid
- (2S)-2-Hydroxy-3-propylbutanedioic acid
- 3-Propylmalate
- 3-プロピルりんご酸
KEGG COMPOUND：
C02123
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