KEGG   COMPOUND: C13958
Entry
C13958                      Compound                               
Name
12-Nitrolinoleic acid;
12-Nitro-9-cis,12-cis-octadecadienoic acid;
(9Z,12E)-12-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
    C13958  (9Z,12Z)-12-Nitrooctadeca-9,12-dienoic acid
Other DBs
PubChem: 854200
ChEBI: 34150
LIPIDMAPS: LMFA01120002
PDB-CCD: LNB[PDBj]
3DMET: B04616
NIKKAJI: J2.402.208K
KCF data

ATOM        23
            1   O6a O    17.8440  -18.7096
            2   C6a C    19.0565  -18.0096
            3   C1b C    20.2688  -18.7096
            4   C1b C    21.4813  -18.0096
            5   C1b C    22.6939  -18.7096
            6   O6a O    19.0565  -16.6095
            7   C1b C    23.8940  -18.0165
            8   C1b C    25.1037  -18.7148
            9   C1b C    26.3187  -18.0131
            10  C1b C    27.5313  -18.7131
            11  C2b C    28.7450  -18.0123
            12  C2b C    30.1460  -18.0125
            13  C1b C    31.3593  -18.7125
            14  C2c C    32.5715  -18.0121
            15  C2b C    33.9727  -18.0125
            16  C1b C    35.1861  -18.7125
            17  C1b C    36.3983  -18.0121
            18  C1b C    37.6120  -18.7123
            19  C1b C    38.8247  -18.0116
            20  C1a C    40.0388  -18.7121
            21  N2b N    32.2087  -16.6581 #+
            22  O3a O    30.6347  -16.2226
            23  O3a O    32.9824  -15.3242 #-
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 2
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   14  21 1
            21   21  22 2
            22   21  23 1

» Japanese version

  All links  
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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