KEGG   COMPOUND: C01942Help
Entry
C01942                      Compound                               

Name
Nonanoyl-CoA
Formula
C30H52N7O17P3S
Exact mass
907.2353
Mol weight
907.7569
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C01942  Nonanoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   C1b C    32.4324  -36.4000
            2   C5a C    33.6449  -35.7000
            3   S2a S    34.8573  -36.4000
            4   C1b C    36.0697  -35.7000
            5   C1b C    37.2822  -36.4000
            6   N1b N    38.4946  -35.7000
            7   C5a C    39.7070  -36.4000
            8   C1b C    40.9195  -35.7000
            9   C1b C    42.1319  -36.4000
            10  N1b N    43.3444  -35.7000
            11  C5a C    44.5568  -36.4000
            12  C1c C    45.7692  -35.7000
            13  C1d C    46.9817  -36.4000
            14  C1b C    48.1941  -35.7000
            15  O2b O    49.4065  -36.4000
            16  O5a O    33.6449  -34.3002
            17  O5a O    39.7070  -37.7999
            18  O5a O    44.5568  -37.7996
            19  O1a O    45.7692  -34.3000
            20  C1a C    46.9817  -35.0000
            21  C1a C    46.9817  -37.8000
            22  P1b P    50.8065  -36.4000
            23  O1c O    52.2065  -36.4000
            24  O1c O    50.8065  -37.8000
            25  C1y C    44.3100  -31.4300
            26  C1y C    45.7100  -31.4300
            27  C1y C    46.1426  -30.0985
            28  O2x O    45.0100  -29.2756
            29  C1y C    43.8774  -30.0985
            30  C1b C    47.4622  -29.6697
            31  O1a O    43.4871  -32.5626
            32  O2b O    46.5329  -32.5626
            33  P1b P    47.9329  -32.5626
            34  O1c O    47.9329  -31.1626
            35  O1c O    49.3329  -32.5626
            36  O1c O    47.9329  -33.9626
            37  C8y C    39.7600  -28.2800
            38  C8y C    39.7600  -29.6800
            39  N4y N    42.1849  -29.6800
            40  C8x C    42.1849  -28.2800
            41  N5x N    40.9724  -27.5800
            42  C8y C    38.5476  -27.5800
            43  N5x N    37.3351  -28.2800
            44  C8x C    37.3351  -29.6800
            45  N5x N    38.5476  -30.3800
            46  N1a N    38.5476  -26.1802
            47  O2b O    49.4445  -30.1020
            48  P1b P    50.8445  -30.1020
            49  O1c O    50.8445  -28.7020
            50  O1c O    52.2445  -30.1020
            51  O2c O    50.8445  -33.3220
            52  C1b C    31.1976  -35.7000
            53  C1b C    29.9851  -36.4000
            54  C1b C    28.7727  -35.7000
            55  C1b C    27.5603  -36.4000
            56  C1b C    26.3478  -35.7000
            57  C1b C    25.1354  -36.4000
            58  C1a C    23.9230  -35.7000
BOND        60
            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   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  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

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