KEGG   COMPOUND: C11419
Entry
C11419                      Compound                               

Name
(3S)-3-Isopropenyl-6-oxoheptanoate;
(3S)-3-Isopropenyl-6-oxoheptanoic acid
Formula
C10H16O3
Exact mass
184.1099
Mol weight
184.2322
Structure
Reaction
Pathway
map00903  Limonene and pinene degradation
Enzyme
1.14.13.105     6.2.1.-
Other DBs
PubChem: 13593
ChEBI: 211 37291
3DMET: B04261
NIKKAJI: J1.121.166F
KCF data

ATOM        13
            1   C6a C    27.8890  -16.7987
            2   O6a O    29.0421  -17.5957
            3   C5a C    26.6807  -16.1004
            4   C1a C    25.4643  -15.3952
            5   O5a O    27.8973  -15.3952
            6   C1b C    25.4643  -16.7987
            7   C1b C    25.4643  -18.1952
            8   C1c C    26.6769  -18.8935
            9   C1b C    27.8890  -18.1952
            10  O6a O    29.0985  -16.1004
            11  C2c C    26.6785  -20.2900
            12  C1a C    25.4699  -20.9898
            13  C2a C    27.8958  -20.9868
BOND        12
            1     1   2 1
            2     3   4 1
            3     3   5 2
            4     6   7 1
            5     7   8 1
            6     1  10 2
            7     8   9 1
            8     8  11 1 #Up
            9     9   1 1
            10   11  12 1
            11   11  13 2
            12    6   3 1

» Japanese version

  All links  
Pathway (1)   
   KEGG PATHWAY (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (2)   
   3DMET (1)   
   NIKKAJI (1)   
Chemical reaction (4)   
   KEGG ENZYME (1)   
   KEGG REACTION (3)   
All databases (10)   

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