KEGG   COMPOUND: C04115
Entry
C04115                      Compound                               
Name
4-Carboxy-4-hydroxy-2-oxoadipate;
4-Hydroxy-4-carboxymethyl-2-oxoglutarate;
2-Hydroxy-4-oxobutane-1,2,4-tricarboxylate;
4-Carboxy-4-hydroxy-2-oxoadipic acid;
2-Hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
Formula
C7H8O8
Exact mass
220.0219
Mol weight
220.1336
Structure
Reaction
Pathway
map00362  Benzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
4.1.3.17        4.2.1.80        4.2.1.83        4.2.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0105 Hydroxy fatty acids
    C04115  4-Carboxy-4-hydroxy-2-oxoadipic acid
Other DBs
PubChem: 6804
ChEBI: 17250
LIPIDMAPS: LMFA01050481
3DMET: B00682
NIKKAJI: J2.379.697J
LinkDB
KCF data

ATOM        15
            1   C6a C    21.5355  -18.0433
            2   C5a C    22.7517  -17.3412
            3   C1b C    23.9679  -18.0433
            4   C1d C    25.1841  -17.3412
            5   C1b C    26.4003  -18.0433
            6   C6a C    27.6165  -17.3412
            7   O6a O    28.8327  -18.0433
            8   O5a O    22.7517  -15.9370
            9   O6a O    20.3194  -17.3412
            10  O6a O    21.5355  -19.4477
            11  O1a O    24.1911  -16.5589
            12  C6a C    25.1872  -15.9848
            13  O6a O    26.3331  -15.1422
            14  O6a O    23.9812  -15.0762
            15  O6a O    27.6165  -15.9371
BOND        14
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 2
            8     1   9 1
            9     1  10 2
            10    4  11 1
            11    4  12 1
            12   12  13 1
            13   12  14 2
            14    6  15 2

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