KEGG   COMPOUND: C01291
Entry
C01291                      Compound                               

Name
3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;
Isohexenyl-glutaconyl-CoA
Formula
C32H50N7O19P3S
Exact mass
961.2095
Mol weight
961.7612
Structure
Reaction
Pathway
map00281  Geraniol degradation
map01110  Biosynthesis of secondary metabolites
Enzyme
4.2.1.57        6.4.1.5
Other DBs
PubChem: 4510
ChEBI: 15480
NIKKAJI: J2.732.417G
KCF data

ATOM        62
            1   C2b C    31.3824  -37.3800
            2   C5a C    32.5949  -36.6800
            3   S2a S    33.8073  -37.3800
            4   C1b C    35.0197  -36.6800
            5   C1b C    36.2322  -37.3800
            6   N1b N    37.4446  -36.6800
            7   C5a C    38.6570  -37.3800
            8   C1b C    39.8695  -36.6800
            9   C1b C    41.0819  -37.3800
            10  N1b N    42.2944  -36.6800
            11  C5a C    43.5068  -37.3800
            12  C1c C    44.7192  -36.6800
            13  C1d C    45.9317  -37.3800
            14  C1b C    47.1441  -36.6800
            15  O2b O    48.3565  -37.3800
            16  O5a O    32.5949  -35.2802
            17  O5a O    38.6570  -38.7799
            18  O5a O    43.5068  -38.7796
            19  O1a O    44.7192  -35.2800
            20  C1a C    45.9317  -35.9800
            21  C1a C    45.9317  -38.7800
            22  P1b P    49.7565  -37.3800
            23  O1c O    51.1565  -37.3800
            24  O1c O    49.7565  -38.7800
            25  C1y C    43.2600  -32.4100
            26  C1y C    44.6600  -32.4100
            27  C1y C    45.0926  -31.0785
            28  O2x O    43.9600  -30.2556
            29  C1y C    42.8274  -31.0785
            30  C1b C    46.4122  -30.6497
            31  O1a O    42.4371  -33.5426
            32  O2b O    45.4829  -33.5426
            33  P1b P    46.8829  -33.5426
            34  O1c O    46.8829  -32.1426
            35  O1c O    48.2829  -33.5426
            36  O1c O    46.8829  -34.9426
            37  C8y C    38.7100  -29.2600
            38  C8y C    38.7100  -30.6600
            39  N4y N    41.1349  -30.6600
            40  C8x C    41.1349  -29.2600
            41  N5x N    39.9224  -28.5600
            42  C8y C    37.4976  -28.5600
            43  N5x N    36.2851  -29.2600
            44  C8x C    36.2851  -30.6600
            45  N5x N    37.4976  -31.3600
            46  N1a N    37.4976  -27.1602
            47  O2b O    48.3945  -31.0820
            48  P1b P    49.7945  -31.0820
            49  O1c O    49.7945  -29.6820
            50  O1c O    51.1945  -31.0820
            51  O2c O    49.7945  -34.3020
            52  C2c C    30.1533  -36.6702
            53  C1b C    28.9492  -37.3653
            54  C1b C    30.1535  -35.2801
            55  C1b C    28.9536  -34.5870
            56  C2b C    27.7639  -35.2736
            57  C2c C    26.5740  -34.5863
            58  C1a C    25.3837  -35.2733
            59  C1a C    26.5741  -33.1802
            60  C6a C    28.9488  -38.7797
            61  O6a O    27.7596  -39.4661
            62  O6a O    30.1844  -39.4937
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   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   52  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 2
            60   57  58 1
            61   57  59 1
            62   53  60 1
            63   60  61 1
            64   60  62 2

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