KEGG   COMPOUND: C20607
Entry
C20607                      Compound                               

Name
Tryprostatin A;
(3S,8aS)-3-{[6-Methoxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Formula
C22H27N3O3
Exact mass
381.2052
Mol weight
381.4681
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
1.14.19.71      2.1.1.293
Other DBs
PubChem: 172232334
ChEMBL: CHEMBL289159
KCF data

ATOM        28
            1   C8y C    18.2270  -14.4018
            2   C8y C    18.2270  -15.8048
            3   C1b C    19.4195  -16.5062
            4   N1x N    20.6822  -15.8048
            5   C1y C    20.6822  -14.4018
            6   C1b C    19.4195  -13.7003
            7   C5x C    21.8747  -16.5062
            8   C1y C    23.0672  -15.8048
            9   N1y N    23.0672  -14.4018
            10  C5x C    21.8747  -13.7003
            11  C1x C    24.4001  -16.2257
            12  C1x C    25.2419  -15.1033
            13  C1x C    24.4001  -13.9809
            14  C8y C    16.8942  -13.9809
            15  C8y C    16.0524  -15.1033
            16  N4x N    16.8942  -16.2257
            17  C8x C    16.3330  -12.7182
            18  C8x C    14.9300  -12.5078
            19  C8y C    14.0883  -13.7003
            20  C8x C    14.6494  -14.9630
            21  C2b C    19.4195  -17.9092
            22  O5x O    21.8747  -17.9092
            23  O5x O    21.8747  -12.2973
            24  C2c C    20.4016  -18.8913
            25  C1a C    21.8046  -18.8913
            26  C1a C    20.4016  -20.2943
            27  O2a O    12.7554  -13.2794
            28  C1a C    12.0540  -12.0869
BOND        31
            1     1   2 2
            2     2   3 1
            3     4   5 1
            4     5   6 1
            5     1   6 1
            6     4   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    5  10 1
            11    8  11 1
            12   11  12 1
            13   12  13 1
            14    9  13 1
            15    1  14 1
            16   14  15 1
            17   15  16 1
            18    2  16 1
            19   14  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   15  20 2
            24   21   3 1
            25   10  23 2
            26    7  22 2
            27   21  24 2
            28   24  25 1
            29   24  26 1
            30   19  27 1
            31   27  28 1

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