COMPOUND: C04225
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Entry
C04225 Compound
Name
(Z)-But-2-ene-1,2,3-tricarboxylate;
cis-2-Methylaconitate
Formula
C7H8O6
Exact mass
188.0321
Mol weight
188.1348
Structure
Mol file
KCF file
DB search
Reaction
R04424
R04425
R11264
Pathway
map00640
Propanoate metabolism
map01100
Metabolic pathways
Enzyme
4.2.1.79
4.2.1.99
5.3.3.-
Other DBs
PubChem:
6896
ChEBI:
16717
3DMET:
B00694
NIKKAJI:
J678.271J
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All DBs
KCF data
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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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