KEGG   COMPOUND: C22164
Entry
C22164                      Compound                               

Name
Dehydrohistidyltryptophyldiketopiperazine
Formula
C17H15N5O2
Exact mass
321.1226
Mol weight
321.3333
Structure
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.-.-.-         2.5.1.-
Other DBs
PubChem: 405226355
KCF data

ATOM        24
            1   C8y C    22.8595  -17.8262
            2   N5x N    21.7410  -18.6650
            3   C8x C    22.2303  -19.9932
            4   N4x N    23.6285  -19.9233
            5   C8x C    23.9780  -18.5951
            6   C8y C    15.7291  -15.5892
            7   C8y C    17.0573  -15.1697
            8   C8y C    15.7291  -16.9873
            9   C8x C    14.5407  -14.8201
            10  C1b C    17.8262  -14.0512
            11  N4x N    16.9874  -17.4766
            12  C8x C    14.4707  -17.6863
            13  C8x C    13.2823  -15.5192
            14  C8x C    13.2823  -17.0571
            15  C8x C    17.7563  -16.3581
            16  C1y C    19.1545  -14.4007
            17  N1x N    19.1545  -15.7989
            18  C5x C    20.4128  -16.4979
            19  C2y C    21.6012  -15.7290
            20  N1x N    21.6012  -14.3308
            21  C5x C    20.3429  -13.7016
            22  O5x O    20.3429  -12.3036
            23  O5x O    20.4128  -17.8961
            24  C2b C    22.8595  -16.4280
BOND        27
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     6   7 1
            7     6   8 2
            8     6   9 1
            9     7  10 1
            10    8  11 1
            11    8  12 1
            12    9  13 2
            13   12  14 2
            14   13  14 1
            15    7  15 2
            16   15  11 1
            17   10  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   21  22 2
            25   18  23 2
            26   19  24 2
            27    1  24 1

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