KEGG   COMPOUND: C02631
Entry
C02631                      Compound                               
Name
2-Isopropylmaleate;
beta-Isopropylmaleate
Formula
C7H10O4
Exact mass
158.0579
Mol weight
158.15
Structure
Reaction
R03968 R04001
Pathway
map00290  Valine, leucine and isoleucine biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
4.2.1.33
Other DBs
PubChem: 5611
ChEBI: 17275
NIKKAJI: J867.346B
LinkDB
KCF data

ATOM        11
            1   C2c C    17.8322  -14.7411
            2   C2b C    19.0425  -15.4427
            3   C1c C    16.6156  -15.4427
            4   C6a C    17.8322  -13.3441
            5   C6a C    20.2528  -14.7411
            6   C1a C    15.4053  -14.7411
            7   C1a C    16.6156  -16.9862
            8   O6a O    19.0425  -12.6489
            9   O6a O    16.6156  -12.6489
            10  O6a O    21.4694  -15.4427
            11  O6a O    20.2528  -13.4841
BOND        10
            1     1   2 2
            2     1   3 1
            3     1   4 1
            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    5  11 2

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