KEGG   COMPOUND: C16342
Entry
C16342                      Compound                               

Name
2(R)-HOT;
(2R)-(9Z,12Z,15Z)-2-Hydroxyoctadecatri-9,12,15-enoic acid;
2(R)-HOTrE
Formula
C18H30O3
Exact mass
294.2195
Mol weight
294.429
Structure
Pathway
map00592  alpha-Linolenic acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C16342  (2R)-(9Z,12Z,15Z)-2-Hydroxyoctadecatri-9,12,15-enoic acid
Other DBs
PubChem: 47205650
ChEBI: 76234
NIKKAJI: J1.999.011G
KCF data

ATOM        21
            1   C1b C    31.3511  -23.5143
            2   C1b C    32.5645  -24.2121
            3   C1b C    30.1442  -24.2185
            4   C2b C    33.7842  -23.5079
            5   C1b C    28.9307  -23.5205
            6   C2b C    35.1798  -23.5079
            7   C1b C    27.7174  -24.2247
            8   C1b C    36.3869  -24.2121
            9   C1b C    26.4980  -23.5205
            10  C2b C    37.6002  -23.5079
            11  C1c C    25.2784  -24.2247
            12  C2b C    38.9958  -23.5079
            13  C6a C    24.0713  -23.5269
            14  C1b C    40.2091  -24.2121
            15  O6a O    22.8580  -24.2310
            16  O6a O    24.0651  -22.1311
            17  C2b C    41.4226  -23.5205
            18  C2b C    42.8182  -23.5205
            19  C1b C    44.0315  -24.2185
            20  C1a C    45.2386  -23.5205
            21  O1a O    25.2779  -25.6179
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     7   9 1
            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   13  16 2
            16   14  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   11  21 1 #Up

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