KEGG   COMPOUND: C13945
Entry
C13945                      Compound                               
Name
2-Oxodecanoic acid;
2-Oxodecanoate
Formula
C10H18O3
Exact mass
186.1256
Mol weight
186.2481
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C13945  2-Oxodecanoic acid
Other DBs
PubChem: 854188
ChEBI: 34301
LIPIDMAPS: LMFA01060001
3DMET: B04615
NIKKAJI: J206.111B
LinkDB
KCF data

ATOM        13
            1   C1b C    30.1263  -17.4993
            2   C1b C    31.3436  -16.7970
            3   C1b C    28.9089  -16.7970
            4   C1b C    32.5493  -17.4993
            5   C1b C    27.7034  -17.4993
            6   C1b C    33.7666  -16.7970
            7   C1b C    26.4860  -16.7970
            8   C1a C    34.9723  -17.4993
            9   C5a C    25.2805  -17.4993
            10  C6a C    24.0632  -16.7970
            11  O6a O    22.8517  -17.5052
            12  O6a O    24.0923  -15.3982
            13  O5a O    25.2836  -18.8885
BOND        12
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    9  13 2

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