KEGG   COMPOUND: C16533
Entry
C16533                      Compound                               

Name
(13Z,16Z)-Docosadienoic acid;
(13Z,16Z)-Docosa-13,16-dienoic acid;
13Z,16Z-Docosadienoic acid
Formula
C22H40O2
Exact mass
336.3028
Mol weight
336.5518
Structure
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
Enzyme
3.1.2.-
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Fatty acids
   Unsaturated fatty acids
    C16533  Docosadienoic acid (22:2;13,16)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Polyunsaturated fatty acids
     C16533  (13Z,16Z)-Docosa-13,16-dienoic acid
  FA04 Docosanoids
   C16533  (13Z,16Z)-Docosa-13,16-dienoic acid
Other DBs
PubChem: 51090862
ChEBI: 75117
ChEMBL: CHEMBL4240217
LIPIDMAPS: LMFA01030405
LipidBank: DFA0171
NIKKAJI: J1.720.804G
LinkDB
KCF data

ATOM        24
            1   C1b C    27.4400  -22.3300
            2   C1b C    28.6300  -21.6300
            3   C1b C    26.2500  -21.7000
            4   C1b C    29.8900  -22.3300
            5   C1b C    25.0600  -22.4000
            6   C1b C    31.1500  -21.6300
            7   C1b C    23.8000  -21.7000
            8   C1b C    32.2700  -22.2600
            9   C1b C    22.6100  -22.4000
            10  C2b C    33.5300  -21.6300
            11  C1b C    21.3500  -21.7000
            12  C1b C    20.1600  -22.4700
            13  C6a C    18.9000  -21.7700
            14  O6a O    17.7100  -22.4700
            15  O6a O    18.9000  -20.4400
            16  C2b C    34.9300  -21.6300
            17  C1b C    36.1900  -22.3300
            18  C2b C    37.4500  -21.5600
            19  C2b C    38.8500  -21.5600
            20  C1b C    40.0400  -22.2600
            21  C1b C    41.3000  -21.5600
            22  C1b C    42.4900  -22.1900
            23  C1b C    43.6759  -21.4460
            24  C1a C    44.9055  -22.0968
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   11  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 2
            15   10  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

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