KEGG   COMPOUND: C00869
Entry
C00869                      Compound                               

Name
2-Oxooctadecanoic acid;
2-Oxostearate
Formula
C18H34O3
Exact mass
298.2508
Mol weight
298.4608
Structure
Reaction
Enzyme
1.1.1.98        1.1.1.99
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C00869  2-Oxooctadecanoic acid
Other DBs
PubChem: 4126
ChEBI: 17162 30820
LipidBank: DFA0387
3DMET: B00194
NIKKAJI: J206.201A
KCF data

ATOM        21
            1   C1b C    32.3417  -18.7937
            2   C1b C    33.5423  -18.0975
            3   C1b C    31.1410  -18.0975
            4   C1b C    34.7492  -18.7937
            5   C1b C    29.9340  -18.7937
            6   C5a C    35.9499  -18.0975
            7   C1b C    28.7333  -18.0975
            8   C6a C    37.1504  -18.7937
            9   O5a O    35.9499  -16.7117
            10  C1b C    27.5264  -18.7937
            11  O6a O    37.1504  -20.3878
            12  O6a O    38.3575  -18.0975
            13  C1b C    26.3258  -18.0975
            14  C1b C    25.1251  -18.7937
            15  C1b C    23.9182  -18.0975
            16  C1b C    22.7175  -18.7937
            17  C1b C    21.5170  -18.0975
            18  C1b C    20.3098  -18.7937
            19  C1b C    19.1094  -18.0975
            20  C1b C    17.9087  -18.7937
            21  C1a C    16.7018  -18.0975
BOND        20
            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     6   9 2
            9     7  10 1
            10    8  11 2
            11    8  12 1
            12   10  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1

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