KEGG   COMPOUND: C02780
Entry
C02780                      Compound                               
Name
2,5-Didehydro-D-gluconate;
2,5-Diketogluconic acid;
2,5-Didehydro-D-gluconic acid
Formula
C6H8O7
Exact mass
192.027
Mol weight
192.1235
Structure
Reaction
Enzyme
1.1.1.215       1.1.1.274       1.1.1.346       1.1.99.4
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0105 Hydroxy fatty acids
    C02780  2,5-Didehydro-D-gluconic acid
Other DBs
CAS: 2595-33-7
PubChem: 5731
ChEBI: 18281
LIPIDMAPS: LMFA01050471
NIKKAJI: J192.106A
KCF data

ATOM        13
            1   C1c C    25.8579  -20.2279
            2   C1c C    27.0725  -20.9281
            3   C5a C    24.6490  -20.9281
            4   O1a O    25.8579  -18.8265
            5   C5a C    28.2873  -20.2279
            6   O1a O    27.0725  -22.3293
            7   C6a C    23.4342  -20.2279
            8   O5a O    24.6490  -22.3293
            9   C1b C    29.4891  -20.9281
            10  O5a O    28.2873  -18.8265
            11  O6a O    22.2253  -20.9281
            12  O6a O    23.4342  -18.8265
            13  O1a O    30.7039  -20.2279
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     5   9 1
            9     5  10 2
            10    7  11 1
            11    7  12 2
            12    9  13 1

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