KEGG   COMPOUND: C08368
Entry
C08368                      Compound                               
Name
Vernolic acid;
(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid;
cis-12,13-Epoxy-cis-9-octadecenoic acid
Formula
C18H32O3
Exact mass
296.2351
Mol weight
296.4449
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0107 Epoxy fatty acids
    C08368  (9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C08368  (9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Others
    C08368  Vernolic acid
Other DBs
CAS: 503-07-1
PubChem: 10564
ChEBI: 27706 38300
LIPIDMAPS: LMFA02000282
KNApSAcK: C00001241
PDB-CCD: T25[PDBj]
3DMET: B02176
NIKKAJI: J9.572I
LinkDB
KCF data

ATOM        21
            1   C1y C    27.3346  -16.9053
            2   C1y C    28.7631  -16.9053
            3   O2x O    28.0457  -15.6640
            4   C1b C    26.0373  -17.6538
            5   C1b C    29.9980  -17.6165
            6   C2b C    24.7522  -16.9053
            7   C1b C    31.2268  -16.9053
            8   C2b C    23.2490  -16.9053
            9   C1b C    32.4619  -17.6165
            10  C1b C    22.0827  -17.5791
            11  C1b C    33.6907  -16.9053
            12  C1b C    20.9161  -16.9053
            13  C1a C    34.9258  -17.6165
            14  C1b C    19.7436  -17.5791
            15  C1b C    18.5709  -16.9053
            16  C1b C    17.4045  -17.5791
            17  C1b C    16.2318  -16.9053
            18  C1b C    15.0591  -17.5791
            19  C6a C    13.8927  -16.9053
            20  O6a O    12.7200  -17.5791
            21  O6a O    13.8927  -15.5518
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1 #Up
            5     4   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21    2   3 1

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