KEGG   COMPOUND: C16172Help
Entry
C16172                      Compound                               

Name
(6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA
Formula
C45H72N7O17P3S
Exact mass
1107.3918
Mol weight
1108.0762
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01100  Metabolic pathways
map01212  Fatty acid metabolism
Module
M00861  beta-Oxidation, peroxisome, VLCFA
Enzyme
1.3.3.6         1.14.19.3
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16172  (6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205482
ChEBI: 63546
NIKKAJI: J2.798.508D
LinkDB All DBs
KCF data Show

ATOM        73
            1   S2a S    32.4100  -22.6800
            2   C1b C    33.6000  -21.9800
            3   C1b C    34.8600  -22.6800
            4   N1b N    36.0500  -21.9800
            5   C5a C    37.2400  -22.6800
            6   C1b C    38.5000  -21.9800
            7   C1b C    39.6900  -22.6800
            8   N1b N    40.8800  -21.9800
            9   C5a C    42.1400  -22.6800
            10  C1c C    43.3300  -21.9800
            11  C1d C    44.5200  -22.6800
            12  C1b C    45.7100  -21.9800
            13  O2b O    46.9700  -22.6800
            14  O5a O    37.2400  -24.0800
            15  O5a O    42.1400  -24.0800
            16  O1a O    43.3300  -20.5800
            17  C1a C    44.5200  -21.2800
            18  C1a C    44.5200  -24.0800
            19  P1b P    48.3700  -22.6800
            20  O1c O    49.7700  -22.6800
            21  O1c O    48.3700  -24.0800
            22  C1y C    41.8600  -17.7100
            23  C1y C    43.2600  -17.7100
            24  C1y C    43.6800  -16.3800
            25  O2x O    42.5600  -15.5400
            26  C1y C    41.4400  -16.3800
            27  C1b C    45.0100  -15.9600
            28  O1a O    41.0200  -18.8300
            29  O2b O    44.1000  -18.8300
            30  P1b P    45.5000  -18.8300
            31  O1c O    45.5000  -17.4300
            32  O1c O    46.9000  -18.8300
            33  O1c O    45.5000  -20.2300
            34  C8y C    37.3100  -14.5600
            35  C8y C    37.3100  -15.9600
            36  N4y N    39.7600  -15.9600
            37  C8x C    39.7600  -14.5600
            38  N5x N    38.5000  -13.8600
            39  C8y C    36.1200  -13.8600
            40  N5x N    34.8600  -14.5600
            41  C8x C    34.8600  -15.9600
            42  N5x N    36.1200  -16.6600
            43  N1a N    36.1200  -12.4600
            44  O2b O    46.9700  -16.3800
            45  P1b P    48.3700  -16.3800
            46  O1c O    48.3700  -14.9800
            47  O1c O    49.7700  -16.3800
            48  O2c O    48.3700  -19.6000
            49  C5a C    31.2900  -21.9800
            50  O5a O    31.2900  -20.7200
            51  C1b C    30.1000  -22.6800
            52  C1b C    28.9100  -21.9800
            53  C1b C    27.6500  -22.6800
            54  C1b C    26.4600  -21.9800
            55  C2b C    25.2700  -22.6800
            56  C2b C    23.8700  -22.6800
            57  C1b C    22.6800  -21.9800
            58  C2b C    21.4200  -22.6800
            59  C2b C    20.0200  -22.6800
            60  C1b C    18.8300  -21.9800
            61  C2b C    17.5700  -22.6800
            62  C2b C    16.1700  -22.6800
            63  C1b C    14.9100  -21.9800
            64  C2b C    13.7200  -22.6800
            65  C2b C    12.3200  -22.6800
            66  C1b C    11.1300  -21.9800
            67  C2b C     9.8700  -22.6800
            68  C2b C     8.4700  -22.6800
            69  C1b C     7.2800  -21.9800
            70  C1b C     6.0900  -22.6800
            71  C1b C     4.8300  -21.9800
            72  C1b C     3.6400  -22.6800
            73  C1a C     2.4500  -21.9800
BOND        75
            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   55  54 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
            70   67  68 2
            71   68  69 1
            72   69  70 1
            73   70  71 1
            74   71  72 1
            75   72  73 1

» Japanese version

DBGET integrated database retrieval system