KEGG   COMPOUND: C16185
Entry
C16185                      Compound                               
Name
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester;
DHA ethyl ester
Formula
C24H36O2
Exact mass
356.2715
Mol weight
356.5414
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA04 Docosanoids
   FA0400 Other Docosanoids
    C16185  (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester
Other DBs
CAS: 81926-94-5
PubChem: 47205493
ChEBI: 84945
NIKKAJI: J599.432B
KCF data

ATOM        26
            1   C1a C    11.7600  -19.4600
            2   C1b C    12.9500  -18.7600
            3   C2b C    14.1400  -19.4600
            4   C2b C    15.5400  -19.4600
            5   C1b C    16.7300  -18.7600
            6   C2b C    17.9900  -19.4600
            7   C2b C    19.3900  -19.4600
            8   C1b C    20.5800  -18.7600
            9   C2b C    21.8400  -19.4600
            10  C2b C    23.1700  -19.4600
            11  C1b C    24.3600  -18.7600
            12  C2b C    25.6200  -19.4600
            13  C2b C    27.0200  -19.4600
            14  C1b C    28.2100  -18.7600
            15  C2b C    29.4700  -19.4600
            16  C2b C    30.8700  -19.4600
            17  C1b C    32.0600  -18.7600
            18  C2b C    33.3200  -19.4600
            19  C2b C    34.7200  -19.4600
            20  C1b C    35.9800  -18.7600
            21  C1b C    37.1700  -19.4600
            22  C7a C    38.3600  -18.7600
            23  O7a O    39.5500  -19.4600
            24  C1b C    40.8100  -18.7600
            25  C1a C    42.0000  -19.4600
            26  O6a O    38.3600  -17.3600
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   22  26 2

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