KEGG   COMPOUND: C03049
Entry
C03049                      Compound                               

Name
13-Hydroxydocosanoic acid;
13-Hydroxydocosanoate
Formula
C22H44O3
Exact mass
356.329
Mol weight
356.583
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0105 Hydroxy fatty acids
    C03049  13-Hydroxydocosanoic acid
Other DBs
PubChem: 5952
ChEBI: 11320 17314
3DMET: B04877
NIKKAJI: J297.187I
KCF data

ATOM        25
            1   C1b C    24.4773  -13.7471
            2   C1c C    23.2669  -13.0451
            3   C1b C    24.4773  -15.1508
            4   C1b C    22.0563  -13.7471
            5   O1a O    23.2669  -11.6478
            6   C1b C    23.2669  -15.8462
            7   C1b C    20.8393  -13.0451
            8   C1b C    22.0563  -15.1508
            9   C1b C    19.6287  -13.7471
            10  C1b C    20.8393  -15.8462
            11  C1b C    18.4181  -13.0451
            12  C1b C    19.6287  -15.1508
            13  C1b C    17.2011  -13.7471
            14  C1b C    18.4181  -15.8462
            15  C1b C    15.9905  -13.0451
            16  C1b C    17.2011  -15.1508
            17  C1b C    14.7735  -13.7471
            18  C1b C    15.9905  -15.8462
            19  C1b C    13.5629  -13.0451
            20  C1b C    14.7735  -15.1508
            21  C1a C    12.3523  -13.7471
            22  C1b C    13.5629  -15.8462
            23  C6a C    13.5629  -17.2499
            24  O6a O    12.3459  -17.9453
            25  O6a O    14.7799  -17.9453
BOND        24
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   22  23 1
            23   23  24 1
            24   23  25 2

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