KEGG   COMPOUND: C08315
Entry
C08315                      Compound                               
Name
(9Z,11E,13E)-Octadecatrienoic acid;
(9Z,11E,13E)-9,11,13-Octadecatrienoic acid;
alpha-Eleostearic acid
Formula
C18H30O2
Exact mass
278.2246
Mol weight
278.43
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Polyunsaturated fatty acids
     C08315  (9Z,11E,13E)-Octadeca-9,11,13-trienoic acid
Other DBs
CAS: 506-23-0
PubChem: 10513
ChEBI: 10275
LIPIDMAPS: LMFA01030147
KNApSAcK: C00001216
NIKKAJI: J12.230K
LinkDB
KCF data

ATOM        20
            1   C1b C    24.1550  -18.0292
            2   C1b C    25.3650  -18.7330
            3   C1b C    22.9449  -18.7330
            4   C2b C    26.5812  -18.0292
            5   C1b C    21.7347  -18.0292
            6   C2b C    27.9828  -18.0292
            7   C1b C    20.5308  -18.7330
            8   C2b C    29.1929  -18.7269
            9   C1b C    19.3209  -18.0292
            10  C2b C    30.4029  -18.0231
            11  C1b C    18.1046  -18.7330
            12  C2b C    31.6131  -18.7207
            13  C6a C    16.8945  -18.0292
            14  C2b C    32.8169  -18.0168
            15  O6a O    15.6843  -18.7330
            16  O6a O    16.8945  -16.6278
            17  C1b C    34.0271  -18.7207
            18  C1b C    35.2433  -18.0168
            19  C1b C    36.4533  -18.7207
            20  C1a C    37.6634  -18.0168
BOND        19
            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 2
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1

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