KEGG   COMPOUND: C02341Help
Entry
C02341                      Compound                               

Name
trans-Aconitate;
trans-Aconitic acid
Formula
C6H6O6
Exact mass
174.0164
Mol weight
174.1082
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
2.1.1.144       2.1.1.145       5.3.3.7
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Tricarboxylic acids
    C02341  trans-Aconitate
BRITE hierarchy
Other DBs
CAS: 
4023-65-8
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C2c C    18.3678  -14.9498
            2   C1b C    19.5666  -15.6410
            3   C2b C    18.3678  -13.5669
            4   C6a C    17.1753  -15.6410
            5   C6a C    19.5666  -17.0864
            6   C6a C    19.5666  -12.8819
            7   O6a O    15.9139  -14.9433
            8   O6a O    17.1816  -16.9484
            9   O6a O    18.5748  -17.9784
            10  O6a O    20.7591  -18.0474
            11  O6a O    20.8971  -13.5733
            12  O6a O    19.6291  -11.5683
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 2

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