KEGG   COMPOUND: C00417Help
Entry
C00417                      Compound                               

Name
cis-Aconitate;
cis-Aconitic acid
Formula
C6H6O6
Exact mass
174.0164
Mol weight
174.1082
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Citrate cycle (TCA cycle)
Glyoxylate and dicarboxylate metabolism
C5-Branched dibasic acid metabolism
Carbon fixation pathways in prokaryotes
Biosynthesis of plant secondary metabolites
Biosynthesis of phenylpropanoids
Biosynthesis of terpenoids and steroids
Biosynthesis of alkaloids derived from shikimate pathway
Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
Biosynthesis of alkaloids derived from histidine and purine
Biosynthesis of alkaloids derived from terpenoid and polyketide
Biosynthesis of plant hormones
Metabolic pathways
Biosynthesis of secondary metabolites
Microbial metabolism in diverse environments
2-Oxocarboxylic acid metabolism
Module
M00012  
Glyoxylate cycle
M00173  
Reductive citrate cycle (Arnon-Buchanan cycle)
Enzyme
4.1.1.6         4.2.1.3         5.3.3.7
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Tricarboxylic acid
    C00417  cis-Aconitate
BRITE hierarchy
Other DBs
CAS: 
585-84-2
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C2c C    22.5011  -16.1837
            2   C1b C    23.2152  -14.9453
            3   C2b C    21.0791  -16.1837
            4   C6a C    23.2152  -17.4157
            5   C6a C    24.6372  -14.9453
            6   C6a C    20.3647  -17.4157
            7   O6a O    22.8549  -18.7854
            8   O6a O    24.6372  -17.4090
            9   O6a O    25.3449  -16.2537
            10  O6a O    25.2815  -13.8533
            11  O6a O    18.9363  -17.4090
            12  O6a O    20.8562  -18.7570
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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