Entry |
|
Name |
(Z)-But-2-ene-1,2,3-tricarboxylate;
cis-2-Methylaconitate
|
Formula |
C7H8O6
|
Exact mass |
188.0321
|
Mol weight |
188.13
|
Structure |
|
Reaction |
|
Pathway |
|
Module |
|
Enzyme |
|
Other DBs |
|
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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