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
map01100  Metabolic pathways
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
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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