KEGG   COMPOUND: C00490
Entry
C00490                      Compound                               
Name
Itaconate;
Itaconic acid;
Methylenesuccinic acid
Formula
C5H6O4
Exact mass
130.0266
Mol weight
130.0987
Structure
Reaction
Pathway
map00660  C5-Branched dibasic acid metabolism
map01100  Metabolic pathways
Enzyme
2.8.3.-         4.1.1.6         4.1.1.113       6.2.1.4         
6.2.1.5
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0117 Dicarboxylic acids
    C00490  Itaconic acid
Other DBs
CAS: 97-65-4
PubChem: 3773
ChEBI: 17240 30838
LIPIDMAPS: LMFA01170063
KNApSAcK: C00033964
PDB-CCD: ITN[PDBj]
3DMET: B01264
NIKKAJI: J38.149G
LinkDB
KCF data

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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