KEGG   COMPOUND: C21647
Entry
C21647                      Compound                               

Name
Roseoflavin;
8-Demethyl-8-(dimethylamino)riboflavin
Formula
C18H23N5O6
Exact mass
405.1648
Mol weight
405.4051
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
Other DBs
PubChem: 350078224
PDB-CCD: RS3[PDBj]
KCF data

ATOM        29
            1   C8y C    18.0384  -19.3583
            2   C8y C    18.0384  -17.9658
            3   C8x C    16.8547  -17.2694
            4   C8y C    15.6013  -17.9658
            5   C8y C    15.6013  -19.3583
            6   C8x C    16.8547  -20.0547
            7   N5x N    19.2221  -20.0547
            8   C8y C    20.4754  -19.3583
            9   C8y C    20.4754  -17.9658
            10  N4y N    19.2221  -17.2694
            11  C8y C    21.6591  -20.0547
            12  N4x N    22.8428  -19.3583
            13  C8y C    22.8428  -17.9658
            14  N5x N    21.6591  -17.2694
            15  C1b C    19.2221  -15.8769
            16  C1c C    18.0384  -15.1806
            17  C1c C    18.0384  -13.7879
            18  O1a O    16.8547  -15.8769
            19  O1a O    19.2221  -13.0917
            20  C1c C    16.8547  -13.0917
            21  O1a O    15.6709  -13.7879
            22  C1b C    16.8547  -11.6991
            23  O1a O    15.6709  -11.0028
            24  N1c N    14.4176  -17.2694
            25  C1a C    14.4176  -20.0547
            26  O5x O    21.6591  -21.4473
            27  O5x O    24.0265  -17.2694
            28  C1a C    13.2214  -17.9472
            29  C1a C    14.4289  -15.4667
BOND        31
            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
            30   24  28 1
            31   24  29 1

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