KEGG   COMPOUND: C21646
Entry
C21646                      Compound                               

Name
8-Amino-8-demethylriboflavin
Formula
C16H19N5O6
Exact mass
377.1335
Mol weight
377.352
Structure
Reaction
Pathway
map00997  Biosynthesis of various secondary metabolites - part 3
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00890  Roseoflavin biosynthesis, FMN => roseoflavin
Enzyme
2.1.1.343       3.1.3.-
Other DBs
PubChem: 350078223
KCF data

ATOM        27
            1   C8y C    17.4306  -19.3282
            2   C8y C    17.4306  -17.9226
            3   C8x C    16.2358  -17.2197
            4   C8y C    14.9706  -17.9226
            5   C8y C    14.9706  -19.3282
            6   C8x C    16.2358  -20.0311
            7   N5x N    18.6254  -20.0311
            8   C8y C    19.8905  -19.3282
            9   C8y C    19.8905  -17.9226
            10  N4y N    18.6254  -17.2197
            11  C8y C    21.0853  -20.0311
            12  N4x N    22.2802  -19.3282
            13  C8y C    22.2802  -17.9226
            14  N5x N    21.0853  -17.2197
            15  C1b C    18.6254  -15.8141
            16  C1c C    17.4306  -15.1112
            17  C1c C    17.4306  -13.7055
            18  O1a O    16.2358  -15.8141
            19  O1a O    18.6254  -13.0027
            20  C1c C    16.2358  -13.0027
            21  O1a O    15.0409  -13.7055
            22  C1b C    16.2358  -11.5970
            23  O1a O    15.0409  -10.8942
            24  N1a N    13.7758  -17.2197
            25  C1a C    13.7758  -20.0311
            26  O5x O    21.0853  -21.4368
            27  O5x O    23.4750  -17.2197
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   16  18 1 #Down
            21   17  19 1 #Up
            22   17  20 1
            23   20  21 1 #Down
            24   20  22 1
            25   22  23 1
            26    4  24 1
            27    5  25 1
            28   11  26 2
            29   13  27 2

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