KEGG   COMPOUND: C13949
Entry
C13949                      Compound                               
Name
9-Chloro-10-hydroxyhexadecanoic acid;
9-Chloro-10-hydroxypalmitic acid;
9-Chloro-10-hydroxypalmitate
Formula
C16H31ClO3
Exact mass
306.1962
Mol weight
306.8685
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0109 Halogenated fatty acids
    C13949  9-Chloro-10-hydroxyhexadecanoic acid
Other DBs
PubChem: 854192
ChEBI: 34508
LIPIDMAPS: LMFA01090044
NIKKAJI: J2.787.814H
KCF data

ATOM        20
            1   C1b C    26.5383  -17.4845
            2   C1b C    27.7544  -16.7827
            3   C1b C    25.3219  -16.7827
            4   C1b C    28.9591  -17.4845
            5   C1b C    24.1174  -17.4845
            6   C1c C    30.1754  -16.7827
            7   C1b C    22.9011  -16.7827
            8   C1c C    31.3800  -17.4845
            9   C1b C    21.6966  -17.4845
            10  C1b C    32.5962  -16.7827
            11  C6a C    20.4803  -16.7827
            12  C1b C    33.8124  -17.4845
            13  O6a O    19.2700  -17.4904
            14  O6a O    20.4861  -15.3852
            15  C1b C    35.0171  -16.7827
            16  C1b C    36.2332  -17.4845
            17  C1b C    37.4437  -16.7827
            18  C1a C    38.6542  -17.4845
            19  X   Cl   30.1783  -15.3775
            20  O1a O    31.3771  -18.8776
BOND        19
            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   10  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18    6  19 1
            19    8  20 1

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