KEGG   COMPOUND: C04411Help
Entry
C04411                      Compound                               

Name
(2R,3S)-3-Isopropylmalate;
3-Isopropylmalate;
3-Carboxy-2-hydroxy-4-methylpentanoate;
2-D-threo-Hydroxy-3-carboxy-isocaproate
Formula
C7H12O5
Exact mass
176.0685
Mol weight
176.1672
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00290  Valine, leucine and isoleucine biosynthesis
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
1.1.1.85        4.2.1.33
Other DBs
PubChem: 7045
ChEBI: 35121 43468
ChEMBL: CHEMBL376564
KNApSAcK: C00019691
PDB-CCD: IPM[PDBj]
3DMET: B01741
NIKKAJI: J1.641.400J
LinkDB All DBs
KCF data Show

ATOM        12
            1   C1c C    27.9390  -16.2631
            2   C1c C    29.1390  -15.5737
            3   C1c C    26.7390  -15.5737
            4   C6a C    27.9390  -17.5145
            5   C6a C    30.3453  -16.2631
            6   O1a O    29.1390  -14.1821
            7   C1a C    25.5327  -16.2631
            8   C1a C    26.7390  -14.1821
            9   O6a O    26.7327  -18.2038
            10  O6a O    29.1453  -18.2038
            11  O6a O    30.3772  -17.7757
            12  O6a O    31.5454  -15.5672
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1

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