KEGG   COMPOUND: C21250Help
Entry
C21250                      Compound                               

Name
2-Methyl-trans-aconitate
Formula
C7H8O6
Exact mass
188.0321
Mol weight
188.1348
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00640  Propanoate metabolism
map01100  Metabolic pathways
Enzyme
4.2.1.117       5.3.3.-
Other DBs
PubChem: 315661349
LinkDB All DBs
KCF data Show

ATOM        13
            1   C2c C    18.6290  -16.3345
            2   C1b C    19.8267  -17.0250
            3   C2c C    18.6290  -14.9530
            4   C6a C    17.4377  -17.0250
            5   C6a C    19.8267  -18.4689
            6   C6a C    19.8267  -14.2687
            7   O6a O    16.1776  -16.3280
            8   O6a O    17.4440  -18.3311
            9   O6a O    18.8358  -19.3600
            10  O6a O    21.0180  -19.4289
            11  O6a O    21.1558  -14.9594
            12  O6a O    19.8191  -12.8865
            13  C1a C    17.4047  -14.2422
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 2
            12    3  13 1

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