KEGG   COMPOUND: C06429Help
Entry
C06429                      Compound                               

Name
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid;
4,7,10,13,16,19-Docosahexaenoic acid;
Docosahexaenoic acid;
Docosahexaenoate
Formula
C22H32O2
Exact mass
328.2402
Mol weight
328.4883
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of unsaturated fatty acids
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Fatty acids
   Unsaturated fatty acids
    C06429  Docosahexaenoic acid (22:6;4,7,10,13,16,19)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Polyunsaturated fatty acids
     C06429  (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexa-4,7,10,13,16,19-enoic acid
  FA04 Docosanoids
   C06429  (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C2b C    21.8059  -16.8400
            2   C1b C    23.0232  -16.1375
            3   C2b C    20.4089  -16.8400
            4   C2b C    24.2328  -16.8400
            5   C1b C    19.1993  -16.1375
            6   C2b C    25.6296  -16.8400
            7   C2b C    17.9976  -16.8400
            8   C1b C    26.8392  -16.1375
            9   C2b C    16.5929  -16.8400
            10  C2b C    28.0489  -16.8400
            11  C1b C    15.3912  -16.1375
            12  C2b C    29.4456  -16.8400
            13  C1b C    14.1659  -16.8400
            14  C1b C    30.6709  -16.1375
            15  C6a C    12.9563  -16.1375
            16  C2b C    31.8882  -16.8400
            17  O6a O    11.7467  -16.8400
            18  O6a O    12.9563  -14.7408
            19  C2b C    33.2852  -16.8400
            20  C1b C    34.5025  -16.1375
            21  C2b C    35.7042  -16.8400
            22  C2b C    37.1012  -16.8400
            23  C1b C    38.3185  -16.1375
            24  C1a C    39.5282  -16.8400
BOND        23
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     3   5 1
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     7   9 2
            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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