KEGG   COMPOUND: C16590
Entry
C16590                      Compound                               

Name
7-Oxoheptanoic acid;
7-Ketoheptanoic acid
Formula
C7H12O3
Exact mass
144.0786
Mol weight
144.1684
Structure
Reaction
Pathway
map00680  Methane metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C16590  7-Oxoheptanoic acid
Other DBs
PubChem: 51090917
ChEBI: 80588
NIKKAJI: J319.562G
KCF data

ATOM        10
            1   C1b C    33.6000  -20.5100
            2   C4a C    34.8600  -21.2100
            3   C1b C    32.4100  -21.2100
            4   O4a O    35.9100  -20.3700
            5   C1b C    31.2200  -20.5100
            6   C1b C    30.0300  -21.2100
            7   C1b C    28.7700  -20.4400
            8   C6a C    27.5800  -21.1400
            9   O6a O    26.3200  -20.4400
            10  O6a O    27.5800  -22.5400
BOND        9
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2

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