KEGG   COMPOUND: C12083
Entry
C12083                      Compound                               
Name
(5Z,7E,9E,14Z,17Z)-Icosapentaenoate;
(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid;
(5Z,7E,9E,14Z,17Z)-Eicosapentaenoate;
5Z,7E,9E,14Z,17Z-Eicosapentaenoic acid;
(5Z,7E,9E,14Z,17Z)-Icosa-5,7,9,14,17-pentaenoic acid
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Reaction
Pathway
map04750  Inflammatory mediator regulation of TRP channels
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Polyunsaturated fatty acids
     C12083  (5Z,7E,9E,14Z,17Z)-Icosa-5,7,9,14,17-pentaenoic acid
Other DBs
PubChem: 14234
LIPIDMAPS: LMFA01030760
KNApSAcK: C00000438
3DMET: B04416
NIKKAJI: J606.986J
LinkDB
KCF data

ATOM        22
            1   C2b C    31.4494  -18.0515
            2   C2b C    32.8530  -18.0515
            3   C1b C    34.0709  -18.7498
            4   C2b C    35.2815  -18.0515
            5   C2b C    36.6853  -18.0515
            6   C1b C    37.9090  -18.7498
            7   C1a C    39.1197  -18.0515
            8   C2b C    23.0015  -18.7795
            9   C2b C    21.7895  -18.0811
            10  C2b C    20.3858  -18.0811
            11  C1b C    19.1809  -18.7795
            12  C1b C    17.9456  -18.0811
            13  C1b C    16.7350  -18.7795
            14  C6a C    15.5172  -18.0811
            15  O6a O    14.3007  -18.7795
            16  O6a O    15.5172  -16.6703
            17  C2b C    24.2059  -18.0766
            18  C2b C    25.4129  -18.7683
            19  C2b C    26.6200  -18.0695
            20  C1b C    27.8271  -18.7612
            21  C1b C    29.0341  -18.0623
            22  C1b C    30.2412  -18.7542
BOND        21
            1     1   2 2
            2     8   9 1
            3     9  10 2
            4    10  11 1
            5    11  12 1
            6    12  13 1
            7    13  14 1
            8    14  15 1
            9    14  16 2
            10    2   3 1
            11    8  17 2
            12    3   4 1
            13   17  18 1
            14    4   5 2
            15   18  19 2
            16    5   6 1
            17   19  20 1
            18    6   7 1
            19   20  21 1
            20   21  22 1
            21   22   1 1

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