KEGG   COMPOUND: C20045Help
Entry
C20045                      Compound                               

Name
Verruculogen;
TR 1;
TR 1 toxin
Formula
C27H33N3O7
Exact mass
511.2319
Mol weight
511.5668
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01130  Biosynthesis of antibiotics
Module
M00786  Fumitremorgin alkaloid biosynthesis, tryptophan + proline => fumitremorgin C/A
Enzyme
1.14.11.38      2.5.1.107
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C20045  Verruculogen
BRITE hierarchy
Other DBs
CAS: 12771-72-1
PubChem: 135626511
ChEBI: 72765
ChEMBL: CHEMBL551369
KNApSAcK: C00011299
LinkDB All DBs
KCF data Show

ATOM        37
            1   C8y C    18.1775  -15.8709
            2   C8y C    18.1775  -14.4725
            3   C1y C    19.3660  -13.7734
            4   C1z C    20.6245  -14.4725
            5   N1y N    20.6245  -15.8709
            6   C1y C    19.3660  -16.5701
            7   C5x C    21.8130  -13.7734
            8   N1y N    23.0016  -14.4725
            9   C1y C    23.0016  -15.8709
            10  C5x C    21.8130  -16.5701
            11  C1x C    24.3300  -14.0531
            12  C1x C    25.1689  -15.1717
            13  C1x C    24.3300  -16.2904
            14  N4y N    16.8491  -16.2904
            15  C8y C    16.0101  -15.1717
            16  C8y C    16.8491  -14.0531
            17  C8x C    14.6119  -15.0319
            18  C8y C    14.0525  -13.7734
            19  C8x C    14.8915  -12.5849
            20  C8x C    16.2898  -12.7947
            21  O2x O    17.6881  -19.5065
            22  C1z C    19.0864  -19.1569
            23  C1x C    19.7856  -17.9683
            24  C1y C    16.1500  -17.4788
            25  O2x O    16.4996  -18.8073
            26  O5x O    21.8130  -17.9683
            27  O1a O    19.3660  -12.3752
            28  O1a O    20.6245  -13.0742
            29  O5x O    21.8130  -12.3752
            30  C1a C    20.4846  -19.1569
            31  C1a C    19.7856  -20.3455
            32  O2a O    12.7941  -13.3539
            33  C1a C    12.0152  -12.0157
            34  C2b C    14.7517  -17.2692
            35  C2c C    13.9127  -18.3878
            36  C1a C    12.5144  -18.1780
            37  C1a C    14.4720  -19.6463
BOND        42
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16    1  14 1
            17   14  15 1
            18   15  16 1
            19    2  16 1
            20   15  17 2
            21   17  18 1
            22   18  19 2
            23   19  20 1
            24   16  20 2
            25   21  22 1
            26   22  23 1
            27   14  24 1
            28   24  25 1
            29   25  21 1
            30   10  26 2
            31    3  27 1 #Down
            32    4  28 1 #Down
            33    7  29 2
            34   22  30 1
            35   22  31 1
            36   18  32 1
            37   32  33 1
            38   34  35 2
            39   35  36 1
            40   35  37 1
            41   24  34 1 #Down
            42   23   6 1

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