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 search
Reaction
Pathway
map00290  Valine, leucine and isoleucine biosynthesis
map00620  Pyruvate metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
Module
M00432  Leucine biosynthesis, 2-oxoisovalerate => 2-oxoisocaproate
Enzyme
2.3.3.13        4.2.1.33
Other DBs
PubChem: 5516
ChEBI: 1178 35128
KNApSAcK: C00019690
PDB-CCD: VPM[PDBj]
3DMET: B01581
NIKKAJI: J319.987H
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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