KEGG   COMPOUND: C21949Help
Entry
C21949                      Compound                               

Name
(11Z,14Z,17Z,20Z,23Z)-Hexacosapentaenoyl-CoA
Formula
C47H76N7O17P3S
Exact mass
1135.4231
Mol weight
1136.1293
Structure
Mol fileKCF fileDB search
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C21949  (11Z,14Z,17Z,20Z,23Z)-Hexacosapentaenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 376218982
LinkDB All DBs
KCF data Show

ATOM        75
            1   S2a S    32.5074  -20.4078
            2   C1b C    33.6416  -19.7406
            3   C1b C    34.8425  -20.4078
            4   N1b N    35.9766  -19.7406
            5   C5a C    37.1108  -20.4078
            6   C1b C    38.3117  -19.7406
            7   C1b C    39.4459  -20.4078
            8   N1b N    40.5801  -19.7406
            9   C5a C    41.7810  -20.4078
            10  C1c C    42.9152  -19.7406
            11  C1d C    44.0494  -20.4078
            12  C1b C    45.1836  -19.7406
            13  O2b O    46.3845  -20.4078
            14  O5a O    37.1108  -21.7421
            15  O5a O    41.7810  -21.7421
            16  O1a O    42.9152  -18.4063
            17  C1a C    44.0494  -19.0734
            18  C1a C    44.0494  -21.7421
            19  P1b P    47.7188  -20.4078
            20  O1c O    49.0532  -20.4078
            21  O1c O    47.7188  -21.7421
            22  C1y C    41.5142  -15.6709
            23  C1y C    42.8485  -15.6709
            24  C1y C    43.2488  -14.4032
            25  O2x O    42.1813  -13.6026
            26  C1y C    41.1139  -14.4032
            27  C1b C    44.5164  -14.0029
            28  O1a O    40.7136  -16.7383
            29  O2b O    43.6491  -16.7383
            30  P1b P    44.9834  -16.7383
            31  O1c O    44.9834  -15.4040
            32  O1c O    46.3178  -16.7383
            33  O1c O    44.9834  -18.0727
            34  C8y C    37.1776  -12.6686
            35  C8y C    37.1776  -14.0029
            36  N4y N    39.5126  -14.0029
            37  C8x C    39.5126  -12.6686
            38  N5x N    38.3117  -12.0014
            39  C8y C    36.0434  -12.0014
            40  N5x N    34.8425  -12.6686
            41  C8x C    34.8425  -14.0029
            42  N5x N    36.0434  -14.6701
            43  N1a N    36.0434  -10.6671
            44  O2b O    46.3845  -14.4032
            45  P1b P    47.7188  -14.4032
            46  O1c O    47.7188  -13.0689
            47  O1c O    49.0532  -14.4032
            48  O2c O    47.7188  -17.4722
            49  C5a C    31.4399  -19.7406
            50  O5a O    31.4399  -18.4730
            51  C1b C    30.3057  -20.4078
            52  C1b C    29.1715  -19.7406
            53  C1b C    27.9706  -20.4078
            54  C1b C    26.8364  -19.7406
            55  C1b C    25.7022  -20.4078
            56  C1b C    24.5013  -19.7406
            57  C1b C    23.3671  -20.4078
            58  C1b C    22.2329  -19.7406
            59  C1b C    21.0988  -20.4078
            60  C2b C    19.9646  -19.7406
            61  C2b C    18.6302  -19.7406
            62  C1b C    17.4960  -20.4078
            63  C2b C    16.2951  -19.7406
            64  C2b C    14.9608  -19.7406
            65  C1b C    13.8266  -20.4078
            66  C2b C    12.6924  -19.7406
            67  C2b C    11.3581  -19.7406
            68  C1b C    10.1572  -20.4078
            69  C2b C     9.0230  -19.7406
            70  C2b C     7.7554  -19.7406
            71  C1b C     6.5545  -20.4078
            72  C2b C     5.4203  -19.7406
            73  C2b C     4.0859  -19.7406
            74  C1b C     2.8850  -20.4078
            75  C1a C     1.7508  -19.7406
BOND        77
            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 1
            62   59  60 1
            63   60  61 2
            64   61  62 1
            65   62  63 1
            66   63  64 2
            67   64  65 1
            68   65  66 1
            69   66  67 2
            70   67  68 1
            71   68  69 1
            72   69  70 2
            73   70  71 1
            74   71  72 1
            75   72  73 2
            76   73  74 1
            77   74  75 1

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