KEGG   COMPOUND: C00122
Entry
C00122                      Compound                               
Name
Fumarate;
Fumaric acid;
trans-Butenedioic acid
Formula
C4H4O4
Exact mass
116.0110
Mol weight
116.07
Structure
Remark
Same as: D02308
Reaction
R00402 R00408 R00412 R00490 R01082 R01083 R01085 R01086
R01087 R01336 R01364 R01867 R02164 R04559 R05598 R06789
R06903 R10660 R10940 R12851 R12947 R13137 R13223
Pathway
map00020  Citrate cycle (TCA cycle)
map00190  Oxidative phosphorylation
map00220  Arginine biosynthesis
map00250  Alanine, aspartate and glutamate metabolism
map00350  Tyrosine metabolism
map00360  Phenylalanine metabolism
map00620  Pyruvate metabolism
map00643  Styrene degradation
map00650  Butanoate metabolism
map00720  Other carbon fixation pathways
map00760  Nicotinate and nicotinamide metabolism
map01060  Biosynthesis of plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01062  Biosynthesis of terpenoids and steroids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01064  Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
map01220  Degradation of aromatic compounds
map02020  Two-component system
map04922  Glucagon signaling pathway
map05200  Pathways in cancer
map05211  Renal cell carcinoma
map05230  Central carbon metabolism in cancer
Module
M00009  Citrate cycle (TCA cycle, Krebs cycle)
M00011  Citrate cycle, second carbon oxidation, 2-oxoglutarate => oxaloacetate
M00029  Urea cycle
M00044  Tyrosine degradation, tyrosine => homogentisate
M00148  Succinate dehydrogenase (ubiquinone)
M00149  Succinate dehydrogenase, prokaryotes
M00150  Fumarate reductase, prokaryotes
M00173  Reductive citrate cycle (Arnon-Buchanan cycle)
M00374  Dicarboxylate-hydroxybutyrate cycle
M00376  3-Hydroxypropionate bi-cycle
M00620  Incomplete reductive citrate cycle, acetyl-CoA => oxoglutarate
M00622  Nicotinate degradation, nicotinate => fumarate
M00844  Arginine biosynthesis, ornithine => arginine
M00845  Arginine biosynthesis, glutamate => acetylcitrulline => arginine
M00982  Methylcitrate cycle
Network
nt06016  Phenylalanine and tyrosine metabolism
Enzyme
1.3.1.6         1.3.2.4         1.3.4.1         1.3.5.1         
1.3.98.1        1.3.99.-        3.7.1.2         3.7.1.5         
3.7.1.14        3.7.1.20        4.1.99.11       4.1.99.-        
4.2.1.2         4.2.99.12       4.3.1.1         4.3.2.1         
4.3.2.2         4.3.99.5        5.2.1.1         6.3.2.46
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05A ANTIPSORIATICS FOR TOPICAL USE
    D05AX Other antipsoriatics for topical use
     D05AX01 Fumaric acid
      D02308  Fumaric acid (NF)
Other DBs
CAS: 110-17-8
PubChem: 3422
ChEBI: 18012 29806
KNApSAcK: C00001183 C00033849
PDB-CCD: FUM[PDBj]
NIKKAJI: J2.880K
LinkDB
KCF data

ATOM        8
            1   C6a C    20.4406  -15.2590
            2   C2b C    21.6516  -15.9610
            3   O6a O    19.2297  -15.9610
            4   O6a O    20.4406  -13.8609
            5   C2b C    22.8684  -15.2590
            6   C6a C    24.0794  -15.9610
            7   O6a O    25.2903  -15.2590
            8   O6a O    24.0794  -17.3591
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2

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