KEGG   COMPOUND: C16173Help
Entry
C16173                      Compound                               

Name
(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA
Formula
C43H68N7O17P3S
Exact mass
1079.3605
Mol weight
1080.023
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
2.3.1.16        2.3.1.176
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16173  (4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205483
ChEBI: 76450
LIPIDMAPS: LMFA07050316
NIKKAJI: J2.798.509B
KCF data Show

ATOM        71
            1   S2a S    30.1000  -25.3400
            2   C1b C    31.2900  -24.6400
            3   C1b C    32.5500  -25.3400
            4   N1b N    33.7400  -24.6400
            5   C5a C    34.9300  -25.3400
            6   C1b C    36.1900  -24.6400
            7   C1b C    37.3800  -25.3400
            8   N1b N    38.5700  -24.6400
            9   C5a C    39.8300  -25.3400
            10  C1c C    41.0200  -24.6400
            11  C1d C    42.2100  -25.3400
            12  C1b C    43.4000  -24.6400
            13  O2b O    44.6600  -25.3400
            14  O5a O    34.9300  -26.7400
            15  O5a O    39.8300  -26.7400
            16  O1a O    41.0200  -23.2400
            17  C1a C    42.2100  -23.9400
            18  C1a C    42.2100  -26.7400
            19  P1b P    46.0600  -25.3400
            20  O1c O    47.4600  -25.3400
            21  O1c O    46.0600  -26.7400
            22  C1y C    39.5500  -20.3700
            23  C1y C    40.9500  -20.3700
            24  C1y C    41.3700  -19.0400
            25  O2x O    40.2500  -18.2000
            26  C1y C    39.1300  -19.0400
            27  C1b C    42.7000  -18.6200
            28  O1a O    38.7100  -21.4900
            29  O2b O    41.7900  -21.4900
            30  P1b P    43.1900  -21.4900
            31  O1c O    43.1900  -20.0900
            32  O1c O    44.5900  -21.4900
            33  O1c O    43.1900  -22.8900
            34  C8y C    35.0000  -17.2200
            35  C8y C    35.0000  -18.6200
            36  N4y N    37.4500  -18.6200
            37  C8x C    37.4500  -17.2200
            38  N5x N    36.1900  -16.5200
            39  C8y C    33.8100  -16.5200
            40  N5x N    32.5500  -17.2200
            41  C8x C    32.5500  -18.6200
            42  N5x N    33.8100  -19.3200
            43  N1a N    33.8100  -15.1200
            44  O2b O    44.6600  -19.0400
            45  P1b P    46.0600  -19.0400
            46  O1c O    46.0600  -17.6400
            47  O1c O    47.4600  -19.0400
            48  O2c O    46.0600  -22.2600
            49  C1b C    27.6500  -25.3400
            50  C5a C    28.9100  -24.6400
            51  O5a O    28.9100  -23.2400
            52  C1b C    26.4600  -24.6400
            53  C2b C    25.2700  -25.3400
            54  C2b C    23.8700  -25.3400
            55  C1b C    22.6800  -24.6400
            56  C2b C    21.4200  -25.3400
            57  C2b C    20.0200  -25.3400
            58  C1b C    18.8300  -24.6400
            59  C2b C    17.5700  -25.3400
            60  C2b C    16.1700  -25.3400
            61  C1b C    14.9100  -24.6400
            62  C2b C    13.7200  -25.3400
            63  C2b C    12.3200  -25.3400
            64  C1b C    11.1300  -24.6400
            65  C2b C     9.8700  -25.3400
            66  C2b C     8.4700  -25.3400
            67  C1b C     7.2800  -24.6400
            68  C1b C     6.0900  -25.3400
            69  C1b C     4.8300  -24.6400
            70  C1b C     3.6400  -25.3400
            71  C1a C     2.4500  -24.6400
BOND        73
            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   49  50 1
            52   50   1 1
            53   50  51 2
            54   53  52 1
            55   53  54 2
            56   54  55 1
            57   55  56 1
            58   56  57 2
            59   57  58 1
            60   58  59 1
            61   59  60 2
            62   60  61 1
            63   61  62 1
            64   62  63 2
            65   63  64 1
            66   64  65 1
            67   65  66 2
            68   66  67 1
            69   67  68 1
            70   68  69 1
            71   69  70 1
            72   70  71 1
            73   52  49 1

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