KEGG   COMPOUND: C20582
Entry
C20582                      Compound                               
Name
cis-(Homo)3-aconitate
Formula
C9H12O6
Exact mass
216.0634
Mol weight
216.188
Structure
Reaction
R10395 R10396
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: 172232319
LinkDB
KCF data

ATOM        15
            1   C2c C    21.0403  -15.9655
            2   C1b C    19.8603  -16.6602
            3   C2b C    22.2433  -16.6602
            4   C1b C    18.6696  -15.9770
            5   C1b C    17.4780  -16.6602
            6   C1b C    16.2587  -15.9516
            7   C6a C    15.0709  -16.6328
            8   O6a O    13.8611  -15.9297
            9   O6a O    15.0670  -18.0183
            10  C6a C    21.1042  -14.5605
            11  O6a O    19.8631  -13.8506
            12  O6a O    22.2881  -13.8699
            13  C6a C    23.4684  -15.9530
            14  O6a O    24.6699  -16.6469
            15  O6a O    23.4684  -14.5601
BOND        14
            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     7   8 1
            8     7   9 2
            9     1  10 1
            10   10  11 1
            11   10  12 2
            12    3  13 1
            13   13  14 1
            14   13  15 2

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