KEGG   COMPOUND: C02214
Entry
C02214                      Compound                               
Name
(E)-Glutaconate;
trans-Glutaconate;
trans-Glutaconic acid;
Glutaconic acid;
(E)-Glutaconic acid;
(2E)-Pent-2-enedioic acid
Formula
C5H6O4
Exact mass
130.0266
Mol weight
130.0987
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0117 Dicarboxylic acids
    C02214  (2E)-Pent-2-enedioic acid
Other DBs
CAS: 628-48-8
PubChem: 5281
ChEBI: 15670 36460
LIPIDMAPS: LMFA01170109
PDB-CCD: G9A[PDBj]
3DMET: B00402
NIKKAJI: J7.761E
KCF data

ATOM        9
            1   O6a O    21.4589  -19.6902
            2   C6a C    22.6692  -18.9865
            3   C2b C    23.8794  -19.6902
            4   C2b C    25.0895  -18.9865
            5   C1b C    26.2998  -19.6902
            6   C6a C    27.5101  -18.9865
            7   O6a O    28.7202  -19.6902
            8   O6a O    22.6692  -17.5863
            9   O6a O    27.5101  -17.5863
BOND        8
            1     4   5 1
            2     2   3 1
            3     5   6 1
            4     1   2 1
            5     6   7 1
            6     3   4 2
            7     2   8 2
            8     6   9 2

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