KEGG   COMPOUND: C01920
Entry
C01920                      Compound                               

Name
Geranoyl-CoA;
cis-Geranyl-CoA
Formula
C31H50N7O17P3S
Exact mass
917.2197
Mol weight
917.7517
Structure
Reaction
Pathway
map00281  Geraniol degradation
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.99.-        5.2.1.-         6.4.1.5
Other DBs
PubChem: 5026
ChEBI: 15523
NIKKAJI: J2.609.446A
LinkDB
KCF data

ATOM        59
            1   C2b C    31.3600  -38.2200
            2   C5a C    32.6200  -37.5200
            3   S2a S    33.8100  -38.2200
            4   C1b C    35.0000  -37.5200
            5   C1b C    36.2600  -38.2200
            6   N1b N    37.4500  -37.5200
            7   C5a C    38.6400  -38.2200
            8   C1b C    39.9000  -37.5200
            9   C1b C    41.0900  -38.2200
            10  N1b N    42.2800  -37.5200
            11  C5a C    43.5400  -38.2200
            12  C1c C    44.7300  -37.5200
            13  C1d C    45.9200  -38.2200
            14  C1b C    47.1100  -37.5200
            15  O2b O    48.3700  -38.2200
            16  O5a O    32.6200  -36.1200
            17  O5a O    38.6400  -39.6200
            18  O5a O    43.5400  -39.6200
            19  O1a O    44.7300  -36.1200
            20  C1a C    45.9200  -36.8200
            21  C1a C    45.9200  -39.6200
            22  P1b P    49.7700  -38.2200
            23  O1c O    51.1700  -38.2200
            24  O1c O    49.7700  -39.6200
            25  C1y C    43.2600  -33.2500
            26  C1y C    44.6600  -33.2500
            27  C1y C    45.0800  -31.9200
            28  O2x O    43.9600  -31.0800
            29  C1y C    42.8400  -31.9200
            30  C1b C    46.4100  -31.5000
            31  O1a O    42.4200  -34.3700
            32  O2b O    45.5000  -34.3700
            33  P1b P    46.9000  -34.3700
            34  O1c O    46.9000  -32.9700
            35  O1c O    48.3000  -34.3700
            36  O1c O    46.9000  -35.7700
            37  C8y C    38.7100  -30.1000
            38  C8y C    38.7100  -31.5000
            39  N4y N    41.1600  -31.5000
            40  C8x C    41.1600  -30.1000
            41  N5x N    39.9000  -29.4000
            42  C8y C    37.5200  -29.4000
            43  N5x N    36.2600  -30.1000
            44  C8x C    36.2600  -31.5000
            45  N5x N    37.5200  -32.2000
            46  N1a N    37.5200  -28.0000
            47  O2b O    48.3700  -31.9200
            48  P1b P    49.7700  -31.9200
            49  O1c O    49.7700  -30.5200
            50  O1c O    51.1700  -31.9200
            51  O2c O    49.7700  -35.1400
            52  C2c C    30.2400  -37.5900
            53  C1b C    30.2400  -36.2600
            54  C1b C    29.1200  -35.6300
            55  C2b C    28.0000  -36.2600
            56  C2c C    26.8800  -35.6300
            57  C1a C    25.7600  -36.2600
            58  C1a C    26.8800  -34.2300
            59  C1a C    29.0315  -38.2968
BOND        61
            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 2
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   56  58 1
            61   52  59 1

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