KEGG   COMPOUND: C20581
Entry
C20581                      Compound                               
Name
cis-(Homo)2-aconitate
Formula
C8H10O6
Exact mass
202.0477
Mol weight
202.1614
Structure
Reaction
R10392 R10393
Pathway
map00680  Methane metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01210  2-Oxocarboxylic acid metabolism
Module
M00608  2-Oxocarboxylic acid chain extension, 2-oxoglutarate => 2-oxoadipate => 2-oxopimelate => 2-oxosuberate
Enzyme
4.2.1.114
Other DBs
PubChem: 172232318
LinkDB
KCF data

ATOM        14
            1   C2c C    20.4401  -15.9396
            2   C1b C    19.2616  -16.6335
            3   C2b C    21.6417  -16.6335
            4   C1b C    18.0723  -15.9511
            5   C1b C    16.8822  -16.6335
            6   C6a C    15.6644  -15.9257
            7   O6a O    14.4780  -16.6061
            8   O6a O    15.6683  -14.5188
            9   C6a C    20.4343  -14.5600
            10  O6a O    19.2232  -13.8676
            11  O6a O    21.6480  -13.8524
            12  C6a C    22.8340  -15.9456
            13  O6a O    24.0418  -16.6434
            14  O6a O    22.8342  -14.5601
BOND        13
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     1   9 1
            9     9  10 1
            10    9  11 2
            11    3  12 1
            12   12  13 1
            13   12  14 2

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