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;
4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoic acid;
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoic acid
Formula
C22H32O2
Exact mass
328.2402
Mol weight
328.4883
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
Enzyme
1.14.14.79      3.1.2.2
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)-Docosa-4,7,10,13,16,19-hexaenoic acid
  FA04 Docosanoids
   C06429  (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
BRITE hierarchy
Other DBs
PubChem: 8664
ChEBI: 28125
ChEMBL: CHEMBL367149
LIPIDMAPS: LMFA01030185
LipidBank: DFA0224
PDB-CCD: HXA[PDBj]
3DMET: B02023
NIKKAJI: J381.483A
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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