KEGG   COMPOUND: C11515
Entry
C11515                      Compound                               
Name
(E)-2-(Methoxycarbonylmethyl)butenedioate;
(2E)-2-(Methoxycarbonylmethyl)but-2-enedioic acid
Formula
C7H8O6
Exact mass
188.0321
Mol weight
188.1348
Structure
Reaction
R05764
Enzyme
2.1.1.145
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0102 Branched fatty acids
    C11515  (2E)-2-(Methoxycarbonylmethyl)but-2-enedioic acid
Other DBs
PubChem: 13685
ChEBI: 15661
LIPIDMAPS: LMFA01020393
PDB-CCD: T8N[PDBj]
NIKKAJI: J2.774.838D
LinkDB
KCF data

ATOM        13
            1   O6a O    30.4752  -17.7864
            2   C6a C    29.2573  -17.0894
            3   C2b C    27.9693  -17.7793
            4   C2c C    28.0322  -19.1804
            5   C1b C    29.2432  -19.8843
            6   C7a C    29.2361  -21.2854
            7   O6a O    30.4472  -21.9824
            8   O7a O    28.0182  -21.9754
            9   C6a C    26.8212  -19.8774
            10  O6a O    26.8143  -21.2784
            11  O6a O    29.2603  -15.6883
            12  O6a O    25.6107  -19.1669
            13  C1a C    28.0111  -23.3694
BOND        12
            1     6   7 2
            2     3   4 2
            3     6   8 1
            4     4   9 1
            5     4   5 1
            6     9  10 2
            7     2   3 1
            8     2  11 2
            9     5   6 1
            10    9  12 1
            11    1   2 1
            12    8  13 1

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