KEGG   COMPOUND: C16534
Entry
C16534                      Compound                               
Name
13,16,19-Docosatrienoic acid;
(13E,16E,19E)-Docosa-13,16,19-trienoic acid
Formula
C22H38O2
Exact mass
334.2872
Mol weight
334.5359
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Polyunsaturated fatty acids
     C16534  (13E,16E,19E)-Docosa-13,16,19-trienoic acid
  FA04 Docosanoids
   FA0400 Other Docosanoids
    C16534  (13E,16E,19E)-Docosa-13,16,19-trienoic acid
Other DBs
PubChem: 51090863
ChEBI: 80549
LIPIDMAPS: LMFA01030407
NIKKAJI: J367.012K
LinkDB
KCF data

ATOM        24
            1   C1b C    27.4536  -22.3533
            2   C1b C    28.6418  -21.6541
            3   C1b C    26.2427  -21.6691
            4   C1b C    29.8750  -22.3234
            5   C1b C    25.0469  -22.3910
            6   C1b C    31.1160  -21.6240
            7   C1b C    23.7985  -21.6990
            8   C1b C    32.3042  -22.2857
            9   C1b C    22.5877  -22.4061
            10  C2b C    33.5225  -21.6013
            11  C1b C    21.3771  -21.7141
            12  C2b C    34.7484  -22.2783
            13  C1b C    20.1662  -22.4512
            14  C1b C    35.9441  -21.5411
            15  C6a C    18.9252  -21.7518
            16  C2b C    37.1548  -22.2255
            17  O6a O    17.7069  -22.4887
            18  O6a O    18.8779  -20.4131
            19  C2b C    38.3958  -21.5036
            20  C1b C    39.5990  -22.1880
            21  C2b C    40.8099  -21.4960
            22  C2b C    42.0282  -22.1653
            23  C1b C    43.2614  -21.4585
            24  C1a C    44.4799  -22.1428
BOND        23
            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     8  10 1
            10    9  11 1
            11   10  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 1

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