KEGG   COMPOUND: C13838
Entry
C13838                      Compound                               
Name
Lactobacillic acid;
11R,12S-Methylene-octadecanoic acid
Formula
C19H36O2
Exact mass
296.2715
Mol weight
296.4879
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0114 Carbocyclic fatty acids
    C13838  Lactobacillic acid
Other DBs
PubChem: 854083
ChEBI: 34811
LIPIDMAPS: LMFA01140001
3DMET: B04600
NIKKAJI: J13.562C
KCF data

ATOM        21
            1   C1a C    17.9838  -17.5166
            2   C1b C    19.1878  -18.2113
            3   C1b C    20.3918  -17.5166
            4   C1b C    21.5959  -18.2113
            5   C1b C    22.7999  -17.5166
            6   C1b C    24.0040  -18.2113
            7   C1y C    25.2081  -17.5166
            8   C1y C    26.5973  -17.5166
            9   C1b C    27.8014  -18.2113
            10  C1b C    29.0054  -17.5166
            11  C1b C    30.2095  -18.2113
            12  C1b C    31.4135  -17.5166
            13  C1b C    32.6175  -18.2113
            14  C1b C    33.8216  -17.5166
            15  C1b C    35.0256  -18.2113
            16  C1b C    36.2296  -17.5166
            17  C1b C    37.4337  -18.2113
            18  C6a C    38.6377  -17.5166
            19  O6a O    39.8417  -18.2113
            20  C1x C    25.9490  -16.1736
            21  O6a O    38.6377  -16.1274
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  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    8  20 1 #Up
            20    7  20 1 #Up
            21   18  21 2

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