KEGG   COMPOUND: C04225
Entry
C04225                      Compound                               
Name
(Z)-But-2-ene-1,2,3-tricarboxylate;
cis-2-Methylaconitate
Formula
C7H8O6
Exact mass
188.0321
Mol weight
188.1348
Structure
Reaction
R04424 R04425 R11264
Pathway
map00640  Propanoate metabolism
map01100  Metabolic pathways
Enzyme
4.2.1.79        4.2.1.99        5.3.3.-
Other DBs
PubChem: 6896
ChEBI: 16717
3DMET: B00694
NIKKAJI: J678.271J
LinkDB
KCF data

ATOM        13
            1   C2c C    18.0102  -17.2296
            2   C2c C    16.7997  -16.5343
            3   C1b C    19.2270  -16.5343
            4   C6a C    18.0102  -18.7732
            5   C6a C    15.5892  -17.2296
            6   C1a C    16.7997  -15.1305
            7   C6a C    20.4375  -17.2296
            8   O6a O    16.8697  -19.4685
            9   O6a O    19.2270  -19.4685
            10  O6a O    14.3787  -16.5278
            11  O6a O    15.5892  -18.6332
            12  O6a O    20.4310  -18.6332
            13  O6a O    21.6480  -16.5278
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    7  12 1
            12    7  13 2

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