KEGG   COMPOUND: C16162
Entry
C16162                      Compound                               
Name
(9Z,12Z,15Z)-Octadecatrienoyl-CoA;
alpha-Linolenoyl-CoA
Formula
C39H64N7O17P3S
Exact mass
1027.3292
Mol weight
1027.9484
Structure
Reaction
R07933 R08178 R12205
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
1.14.19.3       1.14.19.-       3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16162  (9Z,12Z,15Z)-Octadecatrienoyl-CoA
Other DBs
PubChem: 47205472
ChEBI: 51985
LIPIDMAPS: LMFA07050286
NIKKAJI: J2.798.455J
KCF data

ATOM        67
            1   S2a S    24.5700  -25.8300
            2   C1b C    25.7600  -25.1300
            3   C1b C    27.0200  -25.8300
            4   N1b N    28.2100  -25.1300
            5   C5a C    29.4000  -25.8300
            6   C1b C    30.6600  -25.1300
            7   C1b C    31.8500  -25.8300
            8   N1b N    33.0400  -25.1300
            9   C5a C    34.3000  -25.8300
            10  C1c C    35.4900  -25.1300
            11  C1d C    36.6800  -25.8300
            12  C1b C    37.8700  -25.1300
            13  O2b O    39.1300  -25.8300
            14  O5a O    29.4000  -27.2300
            15  O5a O    34.3000  -27.2300
            16  O1a O    35.4900  -23.7300
            17  C1a C    36.6800  -24.4300
            18  C1a C    36.6800  -27.2300
            19  P1b P    40.5300  -25.8300
            20  O1c O    41.9300  -25.8300
            21  O1c O    40.5300  -27.2300
            22  C1y C    34.0200  -20.8600
            23  C1y C    35.4200  -20.8600
            24  C1y C    35.8400  -19.5300
            25  O2x O    34.7200  -18.6900
            26  C1y C    33.6000  -19.5300
            27  C1b C    37.1700  -19.1100
            28  O1a O    33.1800  -21.9800
            29  O2b O    36.2600  -21.9800
            30  P1b P    37.6600  -21.9800
            31  O1c O    37.6600  -20.5800
            32  O1c O    39.0600  -21.9800
            33  O1c O    37.6600  -23.3800
            34  C8y C    29.4700  -17.7100
            35  C8y C    29.4700  -19.1100
            36  N4y N    31.9200  -19.1100
            37  C8x C    31.9200  -17.7100
            38  N5x N    30.6600  -17.0100
            39  C8y C    28.2800  -17.0100
            40  N5x N    27.0200  -17.7100
            41  C8x C    27.0200  -19.1100
            42  N5x N    28.2800  -19.8100
            43  N1a N    28.2800  -15.6100
            44  O2b O    39.1300  -19.5300
            45  P1b P    40.5300  -19.5300
            46  O1c O    40.5300  -18.1300
            47  O1c O    41.9300  -19.5300
            48  O2c O    40.5300  -22.7500
            49  C5a C    23.4500  -25.1300
            50  O5a O    23.4500  -23.8700
            51  C1b C    22.2600  -25.8300
            52  C1b C    21.0700  -25.1300
            53  C1b C    19.8800  -25.8300
            54  C1b C    18.6900  -25.1300
            55  C1b C    17.4300  -25.8300
            56  C1b C    16.3100  -25.1300
            57  C1b C    15.1200  -25.8300
            58  C2b C    13.8600  -25.1300
            59  C2b C    12.4600  -25.1300
            60  C1b C    11.2700  -25.8300
            61  C2b C    10.0800  -25.1300
            62  C2b C     8.6800  -25.1300
            63  C1b C     7.4200  -25.8300
            64  C2b C     6.2300  -25.1300
            65  C2b C     4.9000  -25.1300
            66  C1b C     3.6400  -25.8300
            67  C1a C     2.4500  -25.1300
BOND        69
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 2
            53   49  51 1
            54   51  52 1
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 2
            62   59  60 1
            63   60  61 1
            64   61  62 2
            65   62  63 1
            66   63  64 1
            67   64  65 2
            68   65  66 1
            69   66  67 1

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (5)   
   KEGG ENZYME (2)   
   KEGG REACTION (3)   
Gene (1939)   
   KEGG GENES (1939)   
All databases (1951)   

Download RDF
KEGG   COMPOUND: C16161
Entry
C16161                      Compound                               
Name
alpha-Linolenoyl-ACP;
alpha-Linolenoyl-[acyl-carrier protein];
(9Z,12Z,15Z)-Octadecatrienoyl-ACP;
(9Z,12Z,15Z)-Octadecatrienoyl-[acyl-carrier protein]
Formula
C18H29OSR
Structure
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0706 Fatty acyl ACPs
    C16161  (9Z,12Z,15Z)-Octadecatrienoyl-[acp]
Other DBs
PubChem: 47205471
ChEBI: 80358
KCF data

ATOM        21
            1   C1b C    48.4400  -30.5900
            2   C1b C    47.1800  -29.8900
            3   C1b C    49.6300  -29.8900
            4   C1b C    45.9900  -30.5900
            5   C1b C    50.8900  -30.5900
            6   C2b C    44.8000  -29.8900
            7   C1b C    52.0800  -29.8900
            8   C2b C    43.4000  -29.8900
            9   C1b C    53.2700  -30.5900
            10  C1b C    42.2100  -30.5900
            11  C5a C    54.4600  -29.8900
            12  C2b C    40.9500  -29.8900
            13  S2a S    55.7200  -30.5900
            14  O5a O    54.4600  -28.4900
            15  R   R    57.1200  -30.5900
            16  C2b C    39.5500  -29.8900
            17  C1b C    38.2900  -30.5900
            18  C2b C    37.1000  -29.8900
            19  C2b C    35.7000  -29.8900
            20  C1b C    34.5100  -30.5900
            21  C1a C    33.3200  -29.8900
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            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   11  14 2
            14   13  15 1
            15   12  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (4)   

Download RDF
DBGET integrated database retrieval system