KEGG   COMPOUND: C02504Help
Entry
C02504                      Compound                               

Name
alpha-Isopropylmalate;
(2S)-2-Isopropylmalate;
(2S)-2-Hydroxy-2-isopropylsuccinic acid;
2-Isopropylmalic acid;
3-Carboxy-3-hydroxy-4-methylpentanoate;
3-Carboxy-3-hydroxyisocaproate
Formula
C7H12O5
Exact mass
176.0685
Mol weight
176.1672
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Valine, leucine and isoleucine biosynthesis
Pyruvate metabolism
Metabolic pathways
Biosynthesis of secondary metabolites
2-Oxocarboxylic acid metabolism
Biosynthesis of amino acids
Module
M00432  
Leucine biosynthesis, 2-oxoisovalerate => 2-oxoisocaproate
Enzyme
2.3.3.13        4.2.1.33
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C1d C    26.5461  -19.2196
            2   C1b C    27.7612  -18.5217
            3   C1c C    25.3313  -18.5217
            4   C6a C    26.5461  -20.6284
            5   C6a C    29.1225  -19.2196
            6   C1a C    24.1101  -19.2196
            7   C1a C    25.3313  -17.1128
            8   O6a O    25.3958  -21.3262
            9   O6a O    27.7675  -21.3262
            10  O6a O    30.3374  -18.5152
            11  O1a O    27.5537  -19.9749
            12  O6a O    29.0896  -20.6473
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    1  11 1 #Down
            11    5  12 2

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