KEGG   COMPOUND: C00490Help
Entry
C00490                      Compound                               

Name
Itaconate;
Itaconic acid;
Methylenesuccinic acid
Formula
C5H6O4
Exact mass
130.0266
Mol weight
130.0987
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
C5-Branched dibasic acid metabolism
Enzyme
2.8.3.20        2.8.3.22        4.1.1.6         6.2.1.4         
6.2.1.5
Other DBs
CAS: 
97-65-4
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        9
            1   O6a O    23.1700  -16.0300
            2   C6a C    24.3600  -16.7300
            3   C2c C    25.6200  -16.0300
            4   C1b C    26.8100  -16.7300
            5   C6a C    28.0000  -16.0300
            6   O6a O    29.2600  -16.7300
            7   O6a O    24.3600  -18.1300
            8   C2a C    25.6200  -14.6300
            9   O6a O    28.0000  -14.6300
BOND        8
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     3   8 2
            8     5   9 2

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