KEGG   COMPOUND: C20630
Entry
C20630                      Compound                               

Name
Fumitremorgin B
Formula
C27H33N3O5
Exact mass
479.242
Mol weight
479.568
Structure
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00786  Fumitremorgin alkaloid biosynthesis, tryptophan + proline => fumitremorgin C/A
Enzyme
1.14.11.38      2.5.1.110
Other DBs
CAS: 12626-17-4
PubChem: 172232354
ChEMBL: CHEMBL3885413
PDB-CCD: 4Q1[PDBj]
KCF data

ATOM        35
            1   C8y C    18.2436  -14.3308
            2   C8y C    18.2436  -15.7282
            3   C1y C    19.4314  -16.4269
            4   N1y N    20.6890  -15.7282
            5   C1z C    20.6890  -14.3308
            6   C1y C    19.4314  -13.6321
            7   C5x C    21.8768  -16.4269
            8   C1y C    23.0645  -15.7282
            9   N1y N    23.0645  -14.3308
            10  C5x C    21.8768  -13.6321
            11  C1x C    24.3921  -16.1475
            12  C1x C    25.2305  -15.0295
            13  C1x C    24.3921  -13.9116
            14  C8y C    16.9160  -13.9116
            15  C8y C    16.0776  -15.0295
            16  N4y N    16.9160  -16.1475
            17  C8x C    16.3571  -12.6539
            18  C8x C    14.9597  -12.4443
            19  C8y C    14.1212  -13.6321
            20  C8x C    14.6802  -14.8898
            21  O5x O    21.8768  -17.8243
            22  O5x O    21.8768  -12.2347
            23  O1a O    20.6890  -12.9334
            24  O2a O    12.7937  -13.2129
            25  C1a C    12.0950  -12.0251
            26  O1a O    19.4314  -12.2347
            27  C1b C    16.4888  -17.4780
            28  C2b C    15.1312  -17.7714
            29  C2c C    14.5194  -19.2262
            30  C1a C    13.1542  -19.3984
            31  C1a C    15.3694  -20.3467
            32  C2b C    19.4314  -17.8243
            33  C2c C    20.4095  -18.8025
            34  C1a C    21.8070  -18.8025
            35  C1a C    20.4095  -20.1999
BOND        39
            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   14  17 2
            21   17  18 1
            22   18  19 2
            23   19  20 1
            24   15  20 2
            25   10  22 2
            26    7  21 2
            27    5  23 1 #Down
            28   19  24 1
            29   24  25 1
            30    6  26 1 #Down
            31   16  27 1
            32   27  28 1
            33   28  29 2
            34   29  30 1
            35   29  31 1
            36   32  33 2
            37   33  34 1
            38   33  35 1
            39    3  32 1 #Up

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