KEGG   COMPOUND: C21962
Entry
C21962                      Compound                               
Name
(13Z,16Z,19Z,22Z)-Octacosatetraenoic acid;
13Z,16Z,19Z,22Z-Octacosatetraenoic acid;
(13Z,16Z,19Z,22Z)-Octacosa-13,16,19,22-tetraenoic acid
Formula
C28H48O2
Exact mass
416.3654
Mol weight
416.68
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Polyunsaturated fatty acids
     C21962  (13Z,16Z,19Z,22Z)-Octacosa-13,16,19,22-tetraenoic acid
Other DBs
PubChem: 376218995
LIPIDMAPS: LMFA01030825
LinkDB
KCF data

ATOM        30
            1   O6a O     1.7500  -20.3700
            2   C6a C     2.8000  -19.6700
            3   O6a O     2.8000  -18.4100
            4   C1b C     3.9200  -20.3700
            5   C1b C     5.0400  -19.6700
            6   C1b C     6.3000  -20.3700
            7   C1b C     7.4200  -19.6700
            8   C1b C     8.5400  -20.3700
            9   C1b C     9.7300  -19.6700
            10  C1b C    10.9900  -20.3700
            11  C1b C    12.1800  -19.6700
            12  C1b C    13.4400  -20.3700
            13  C1b C    14.6300  -19.6700
            14  C1b C    15.8200  -20.3700
            15  C2b C    17.0100  -19.6700
            16  C2b C    18.3400  -19.6700
            17  C1b C    19.4600  -20.3700
            18  C2b C    20.6500  -19.6700
            19  C2b C    21.9100  -19.6700
            20  C1b C    23.0300  -20.3700
            21  C2b C    24.1500  -19.6700
            22  C2b C    25.4100  -19.6700
            23  C1b C    26.6700  -20.3700
            24  C2b C    27.7900  -19.6700
            25  C2b C    29.0500  -19.6700
            26  C1b C    30.2400  -20.3700
            27  C1b C    31.3600  -19.6700
            28  C1b C    32.4800  -20.3700
            29  C1b C    33.6700  -19.6700
            30  C1a C    34.8600  -20.3700
BOND        29
            1     1   2 1
            2     2   3 2
            3     2   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 2
            16   16  17 1
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1

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