KEGG   COMPOUND: C02587Help
Entry
C02587                      Compound                               

Name
Pyrimidodiazepine;
2-Amino-6-acetyl-3,7,8,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepin-4-one
Formula
C9H11N5O2
Exact mass
221.0913
Mol weight
221.2159
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00790  Folate biosynthesis
Enzyme
Other DBs
PubChem: 5579
NIKKAJI: J2.378.467J
KCF data Show

ATOM        16
            1   C8y C    36.2000   -9.7147
            2   N1x N    37.2967   -8.8510
            3   C1x C    38.6621   -9.1624
            4   C1x C    39.2640  -10.4156
            5   C8y C    36.2000  -11.1237
            6   C2y C    38.6630  -11.6829
            7   N2x N    37.2967  -11.9945
            8   N5x N    34.9876   -9.0147
            9   C8y C    33.7751   -9.7147
            10  N4x N    33.7751  -11.1237
            11  C8y C    34.9876  -11.8237
            12  O5x O    34.9875  -13.2299
            13  N1a N    32.5955   -9.0335
            14  C5a C    39.5333  -12.7680
            15  C1a C    40.9374  -12.5527
            16  O5a O    39.0371  -14.0427
BOND        17
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12    5  11 1
            13   11  12 2
            14    9  13 1
            15    6  14 1
            16   14  15 1
            17   14  16 2

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