KEGG   COMPOUND: C16465
Entry
C16465                      Compound                               

Name
trans-Geranyl-CoA
Formula
C31H50N7O17P3S
Exact mass
917.2197
Mol weight
917.7517
Structure
Reaction
Pathway
map00281  Geraniol degradation
map01110  Biosynthesis of secondary metabolites
Enzyme
2.8.3.-         5.2.1.-
Other DBs
PubChem: 47205761
ChEBI: 80509
NIKKAJI: J2.802.631E
KCF data

ATOM        59
            1   C1a C     5.6000  -20.7900
            2   C2c C     6.7900  -20.0900
            3   C2b C     8.0500  -20.7900
            4   C1b C     9.2400  -20.0900
            5   C1b C    10.4300  -20.7900
            6   C2c C    11.6900  -20.0900
            7   C2b C    12.8800  -20.7900
            8   C1a C     6.7900  -18.6900
            9   C1a C    11.6900  -18.6900
            10  C5a C    14.1400  -20.0900
            11  S2a S    15.3300  -20.7900
            12  C1b C    16.5200  -20.0900
            13  C1b C    17.7800  -20.7900
            14  N1b N    18.9700  -20.0900
            15  C5a C    20.1600  -20.7900
            16  C1b C    21.4200  -20.0900
            17  C1b C    22.6100  -20.7900
            18  N1b N    23.8000  -20.0900
            19  C5a C    25.0600  -20.7900
            20  C1c C    26.2500  -20.0900
            21  C1d C    27.4400  -20.7900
            22  C1b C    28.6300  -20.0900
            23  O2b O    29.8900  -20.7900
            24  O5a O    14.1400  -18.6900
            25  O5a O    20.1600  -22.1900
            26  O5a O    25.0600  -22.1900
            27  O1a O    26.2500  -18.6900
            28  C1a C    27.4400  -19.3900
            29  C1a C    27.4400  -22.1900
            30  P1b P    31.2900  -20.7900
            31  O1c O    32.6900  -20.7900
            32  O1c O    31.2900  -22.1900
            33  C1y C    24.7800  -15.8200
            34  C1y C    26.1800  -15.8200
            35  C1y C    26.6000  -14.4900
            36  O2x O    25.4800  -13.6500
            37  C1y C    24.3600  -14.4900
            38  C1b C    27.9300  -14.0700
            39  O1a O    23.9400  -16.9400
            40  O2b O    27.0200  -16.9400
            41  P1b P    28.4200  -16.9400
            42  O1c O    28.4200  -15.5400
            43  O1c O    29.8200  -16.9400
            44  O1c O    28.4200  -18.3400
            45  C8y C    20.2300  -12.6700
            46  C8y C    20.2300  -14.0700
            47  N4y N    22.6800  -14.0700
            48  C8x C    22.6800  -12.6700
            49  N5x N    21.4200  -11.9700
            50  C8y C    19.0400  -11.9700
            51  N5x N    17.7800  -12.6700
            52  C8x C    17.7800  -14.0700
            53  N5x N    19.0400  -14.7700
            54  N1a N    19.0400  -10.5700
            55  O2b O    29.8900  -14.4900
            56  P1b P    31.2900  -14.4900
            57  O1c O    31.2900  -13.0900
            58  O1c O    32.6900  -14.4900
            59  O2c O    31.2900  -17.7100
BOND        61
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     2   8 1
            8     6   9 1
            9     7  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   10  24 2
            24   15  25 2
            25   19  26 2
            26   20  27 1 #Down
            27   21  28 1
            28   21  29 1
            29   23  30 1
            30   30  31 2
            31   30  32 1
            32   33  34 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   33  37 1
            37   35  38 1 #Down
            38   33  39 1 #Up
            39   34  40 1 #Up
            40   40  41 1
            41   41  42 1
            42   41  43 1
            43   41  44 2
            44   45  46 2
            45   46  47 1
            46   47  48 1
            47   48  49 2
            48   45  49 1
            49   45  50 1
            50   50  51 2
            51   51  52 1
            52   52  53 2
            53   46  53 1
            54   50  54 1
            55   37  47 1 #Down
            56   38  55 1
            57   55  56 1
            58   56  57 1
            59   56  58 2
            60   56  59 1
            61   30  59 1

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