KEGG   COMPOUND: C21250
Entry
C21250                      Compound                               
Name
2-Methyl-trans-aconitate
Formula
C7H8O6
Exact mass
188.0321
Mol weight
188.13
Structure
Reaction
R11263 R11264
Pathway
map00640  Propanoate metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Module
M00982  Methylcitrate cycle
Enzyme
4.2.1.117       5.3.3.-
Other DBs
PubChem: 315661349
LinkDB
KCF data

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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