KEGG   COMPOUND: C16163Help
Entry
C16163                      Compound                               

Name
(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA;
Stearidonoyl-CoA
Formula
C39H62N7O17P3S
Exact mass
1025.3136
Mol weight
1025.9326
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16163  (6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205473
ChEBI: 63545
NIKKAJI: J2.798.473H
KCF data Show

ATOM        67
            1   S2a S    25.0600  -22.9600
            2   C1b C    26.2500  -22.2600
            3   C1b C    27.5100  -22.9600
            4   N1b N    28.7000  -22.2600
            5   C5a C    29.8900  -22.9600
            6   C1b C    31.1500  -22.2600
            7   C1b C    32.3400  -22.9600
            8   N1b N    33.5300  -22.2600
            9   C5a C    34.7900  -22.9600
            10  C1c C    35.9800  -22.2600
            11  C1d C    37.1700  -22.9600
            12  C1b C    38.3600  -22.2600
            13  O2b O    39.6200  -22.9600
            14  O5a O    29.8900  -24.3600
            15  O5a O    34.7900  -24.3600
            16  O1a O    35.9800  -20.8600
            17  C1a C    37.1700  -21.5600
            18  C1a C    37.1700  -24.3600
            19  P1b P    41.0200  -22.9600
            20  O1c O    42.4200  -22.9600
            21  O1c O    41.0200  -24.3600
            22  C1y C    34.5100  -17.9900
            23  C1y C    35.9100  -17.9900
            24  C1y C    36.3300  -16.6600
            25  O2x O    35.2100  -15.8200
            26  C1y C    34.0900  -16.6600
            27  C1b C    37.6600  -16.2400
            28  O1a O    33.6700  -19.1100
            29  O2b O    36.7500  -19.1100
            30  P1b P    38.1500  -19.1100
            31  O1c O    38.1500  -17.7100
            32  O1c O    39.5500  -19.1100
            33  O1c O    38.1500  -20.5100
            34  C8y C    29.9600  -14.8400
            35  C8y C    29.9600  -16.2400
            36  N4y N    32.4100  -16.2400
            37  C8x C    32.4100  -14.8400
            38  N5x N    31.1500  -14.1400
            39  C8y C    28.7700  -14.1400
            40  N5x N    27.5100  -14.8400
            41  C8x C    27.5100  -16.2400
            42  N5x N    28.7700  -16.9400
            43  N1a N    28.7700  -12.7400
            44  O2b O    39.6200  -16.6600
            45  P1b P    41.0200  -16.6600
            46  O1c O    41.0200  -15.2600
            47  O1c O    42.4200  -16.6600
            48  O2c O    41.0200  -19.8800
            49  C5a C    23.9400  -22.2600
            50  O5a O    24.0100  -21.0000
            51  C1b C    22.7500  -22.9600
            52  C1b C    21.5600  -22.2600
            53  C1b C    20.3700  -22.9600
            54  C1b C    19.1800  -22.2600
            55  C2b C    17.9200  -22.9600
            56  C2b C    16.5200  -22.9600
            57  C1b C    15.3300  -22.2600
            58  C2b C    14.0700  -22.9600
            59  C2b C    12.6700  -22.9600
            60  C1b C    11.4100  -22.2600
            61  C2b C    10.2200  -22.9600
            62  C2b C     8.8200  -22.9600
            63  C1b C     7.6300  -22.2600
            64  C2b C     6.3700  -22.9600
            65  C2b C     4.9700  -22.9600
            66  C1b C     3.7100  -22.2600
            67  C1a C     2.5200  -22.9600
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 2
            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

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