KEGG   COMPOUND: C12450Help
Entry
C12450                      Compound                               

Name
Pseudoecgonyl-CoA
Formula
C30H49N8O18P3S
Exact mass
934.2098
Mol weight
934.7391
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Tropane, piperidine and pyridine alkaloid biosynthesis
Enzyme
6.2.1.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C12450  Pseudoecgonyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        60
            1   S2a S    14.3500  -20.5800
            2   C1b C    15.3300  -19.8800
            3   C1b C    16.5900  -20.5800
            4   N1b N    17.7800  -19.8800
            5   C5a C    18.9700  -20.5800
            6   C1b C    20.2300  -19.8800
            7   C1b C    21.4200  -20.5800
            8   N1b N    22.6100  -19.8800
            9   C5a C    23.8700  -20.5800
            10  C1c C    25.0600  -19.8800
            11  C1d C    26.2500  -20.5800
            12  C1b C    27.4400  -19.8800
            13  O2b O    28.7000  -20.5800
            14  O5a O    18.9700  -21.9800
            15  O5a O    23.8700  -21.9800
            16  O1a O    25.0600  -18.4800
            17  C1a C    26.2500  -19.1800
            18  C1a C    26.2500  -21.9800
            19  P1b P    30.1000  -20.5800
            20  O1c O    31.5000  -20.5800
            21  O1c O    30.1000  -21.9800
            22  C1y C    23.5900  -15.6100
            23  C1y C    24.9900  -15.6100
            24  C1y C    25.4100  -14.2800
            25  O2x O    24.2900  -13.4400
            26  C1y C    23.1700  -14.2800
            27  C1b C    26.7400  -13.8600
            28  O1a O    22.7500  -16.7300
            29  O2b O    25.8300  -16.7300
            30  P1b P    27.2300  -16.7300
            31  O1c O    27.2300  -15.3300
            32  O1c O    28.6300  -16.7300
            33  O1c O    27.2300  -18.1300
            34  C8y C    19.0400  -12.4600
            35  C8y C    19.0400  -13.8600
            36  N4y N    21.4900  -13.8600
            37  C8x C    21.4900  -12.4600
            38  N5x N    20.2300  -11.7600
            39  C8y C    17.8500  -11.7600
            40  N5x N    16.5900  -12.4600
            41  C8x C    16.5900  -13.8600
            42  N5x N    17.8500  -14.5600
            43  N1a N    17.8500  -10.3600
            44  O2b O    28.7000  -14.2800
            45  P1b P    30.1000  -14.2800
            46  O1c O    30.1000  -12.8800
            47  O1c O    31.5000  -14.2800
            48  O2c O    30.1000  -17.5000
            49  C1x C    12.3200  -22.8200
            50  C1y C    10.9200  -21.8400
            51  C1y C    10.8500  -22.8200
            52  N1y N    10.1500  -21.0000
            53  C1x C     9.9400  -22.4000
            54  C1x C     9.4500  -23.4500
            55  C1a C    10.0800  -19.6000
            56  C1y C    12.3200  -21.8400
            57  C1y C    13.3000  -23.3100
            58  O1a O    14.6300  -23.1700
            59  C5a C    12.9500  -20.6500
            60  O5a O    12.2500  -19.4600
BOND        64
            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   53  54 1
            52   52  55 1
            53   57  49 1
            54   56  50 1
            55   56  57 1
            56   49  51 1
            57   57  58 1 #Up
            58   50  52 1
            59   56  59 1 #Down
            60   50  53 1
            61   59   1 1
            62   51  54 1
            63   59  60 2
            64   51  52 1

» Japanese version

DBGET integrated database retrieval system