KEGG   COMPOUND: C18067
Entry
C18067                      Compound                               
Name
6-Hydroxy-3,7-dimethyloctanoate;
6-Hydroxy-3,7-dimethyloctanoic acid
Formula
C10H20O3
Exact mass
188.1412
Mol weight
188.264
Structure
Reaction
R08979
Enzyme
3.1.1.83
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0105 Hydroxy fatty acids
    C18067  6-Hydroxy-3,7-dimethyloctanoic acid
Other DBs
PubChem: 96024285
ChEBI: 50451
LIPIDMAPS: LMFA01050370
LinkDB
KCF data

ATOM        13
            1   C1b C    18.6200  -29.1900
            2   C1b C    18.6200  -30.5900
            3   C1c C    19.8100  -31.2900
            4   O1a O    21.0700  -29.1900
            5   C1c C    19.8100  -28.4900
            6   C1b C    21.0700  -30.5900
            7   C6a C    22.2600  -31.2900
            8   O6a O    23.4500  -30.5900
            9   C1a C    19.7928  -32.6899
            10  C1c C    19.7928  -27.0901
            11  C1a C    18.5849  -26.4124
            12  C1a C    21.0092  -26.3676
            13  O6a O    22.2600  -32.6900
BOND        12
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     1   5 1
            5     3   6 1
            6     6   7 1
            7     7   8 1
            8     3   9 1
            9     5  10 1
            10   10  11 1
            11   10  12 1
            12    7  13 2

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