COMPOUND: C03666
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Entry
C03666 Compound
Name
2-Carboxy-cis,cis-muconate;
2-Carboxy-cis,cis-muconic acid;
(3Z)-Buta-1,3-diene-1,1,4-tricarboxylic acid
Formula
C7H6O6
Exact mass
186.0164
Mol weight
186.1189
Structure
Mol file
KCF file
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Reaction
R01506
Enzyme
1.13.11.28
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0117 Dicarboxylic acids
C03666 (3Z)-Buta-1,3-diene-1,1,4-tricarboxylic acid
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Other DBs
PubChem:
6444
ChEBI:
17344
LIPIDMAPS:
LMFA01030966
3DMET:
B00615
NIKKAJI:
J1.956.552A
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KCF data
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ATOM 13
1 C2c C 19.6229 -14.4067
2 C2b C 18.4133 -15.1015
3 C6a C 20.8326 -15.1015
4 C6a C 19.6229 -13.0039
5 C2b C 18.4133 -16.5041
6 O6a O 20.8326 -16.6441
7 O6a O 22.0422 -14.4001
8 O6a O 20.8389 -12.3091
9 O6a O 18.4069 -12.3091
10 C2b C 17.1973 -17.2054
11 C6a C 15.9877 -16.5041
12 O6a O 15.9942 -15.1015
13 O6a O 14.7780 -17.2054
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 2
7 4 8 1
8 4 9 2
9 5 10 2
10 10 11 1
11 11 12 1
12 11 13 2
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