KEGG   COMPOUND: C13800
Entry
C13800                      Compound                               
Name
10-Nitrolinoleic acid;
10-Nitro-9-cis,12-cis-octadecadienoic acid;
10-Nitro-9-cis,12-cis-octadecadienoate;
(9E,12Z)-10-Nitrooctadeca-9,12-dienoic acid
Formula
C18H31NO4
Exact mass
325.2253
Mol weight
325.443
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0112 Nitro fatty acids
    C13800  (9Z,12Z)-10-Nitrooctadeca-9,12-dienoic acid
Other DBs
PubChem: 854045
ChEBI: 34125
LIPIDMAPS: LMFA01120001
PDB-CCD: LNA[PDBj]
3DMET: B04581
NIKKAJI: J2.402.207B
LinkDB
KCF data

ATOM        23
            1   C2b C    28.8709  -17.3616
            2   C1b C    30.0829  -18.0562
            3   C1b C    31.2950  -17.3545
            4   C1b C    32.5070  -18.0490
            5   C1b C    33.7190  -17.3473
            6   C1a C    34.9310  -18.0421
            7   C2c C    25.0435  -17.3686
            8   C1b C    26.2555  -18.0633
            9   C2b C    27.4675  -17.3616
            10  O6a O    12.7319  -18.0987
            11  C6a C    13.9439  -17.3970
            12  C1b C    15.1559  -18.0916
            13  C1b C    16.3679  -17.3899
            14  C1b C    17.5800  -18.0846
            15  C1b C    18.7920  -17.3829
            16  C1b C    20.0040  -18.0774
            17  C1b C    21.2160  -17.3757
            18  C1b C    22.4281  -18.0703
            19  C2b C    23.6401  -17.3686
            20  O6a O    13.9408  -15.9936
            21  N2b N    25.0544  -16.0125 #+
            22  O3a O    26.5495  -15.0871 #-
            23  O3a O    23.7805  -15.0218
BOND        22
            1    12  13 1
            2     3   4 1
            3    13  14 1
            4     7   8 1
            5    14  15 1
            6    15  16 1
            7     8   9 1
            8    16  17 1
            9     4   5 1
            10   17  18 1
            11    2   3 1
            12   18  19 1
            13   10  11 1
            14   11  20 2
            15   19   7 2
            16    9   1 2
            17    5   6 1
            18    7  21 1
            19   11  12 1
            20   21  22 1
            21    1   2 1
            22   21  23 2

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