KEGG   COMPOUND: C20630Help
Entry
C20630                      Compound                               

Name
Fumitremorgin B
Formula
C27H33N3O5
Exact mass
479.242
Mol weight
479.568
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      2.5.1.110
Other DBs
CAS: 12626-17-4
PubChem: 172232354
ChEMBL: CHEMBL3885413
PDB-CCD: 4Q1[PDBj]
KCF data Show

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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