KEGG   COMPOUND: C04529
Entry
C04529                      Compound                               
Name
(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate;
(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylic acid
Formula
C17H30O7
Exact mass
346.1992
Mol weight
346.4159
Structure
Reaction
R03859
Enzyme
2.3.3.4
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0117 Dicarboxylic acids
    C04529  (3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylic acid
Other DBs
PubChem: 7139
ChEBI: 15615
LIPIDMAPS: LMFA01170075
NIKKAJI: J2.751.608D
LinkDB
KCF data

ATOM        24
            1   C1c C    31.6306  -16.6349
            2   C1d C    32.8452  -15.9184
            3   C1b C    30.4176  -15.9299
            4   C6a C    31.6131  -17.9612
            5   C1b C    34.0593  -16.6349
            6   C6a C    32.8452  -14.5150
            7   O1a O    34.0593  -15.2072
            8   C1b C    29.2031  -16.6349
            9   O6a O    30.4059  -18.6592
            10  O6a O    32.8335  -18.6534
            11  C1b C    35.2727  -15.9299
            12  O6a O    34.0653  -13.8157
            13  O6a O    31.6306  -13.8157
            14  C1b C    27.9958  -15.9299
            15  C6a C    36.4869  -16.6349
            16  C1b C    26.7755  -16.6349
            17  O6a O    36.4812  -18.0323
            18  O6a O    37.6943  -15.9241
            19  C1b C    25.5682  -15.9299
            20  C1b C    24.3480  -16.6349
            21  C1b C    23.1407  -15.9299
            22  C1b C    21.9261  -16.6349
            23  C1b C    20.7060  -15.9299
            24  C1a C    19.4986  -16.6349
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    8  14 1
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   15  18 1
            18   16  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1

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