KEGG   COMPOUND: C20607Help
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
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
1.14.19.71      2.1.1.293
Other DBs
PubChem: 172232334
ChEMBL: CHEMBL289159
LinkDB All DBs
KCF data Show

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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