KEGG   COMPOUND: C21648
Entry
C21648                      Compound                               

Name
8-Demethyl-8-(methylamino)riboflavin
Formula
C17H21N5O6
Exact mass
391.1492
Mol weight
391.3785
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: 350078225
KCF data

ATOM        28
            1   C8y C    18.0030  -19.3356
            2   C8y C    18.0030  -17.9297
            3   C8x C    16.8078  -17.2265
            4   C8y C    15.5423  -17.9297
            5   C8y C    15.5423  -19.3356
            6   C8x C    16.8078  -20.0388
            7   N5x N    19.1981  -20.0388
            8   C8y C    20.4636  -19.3356
            9   C8y C    20.4636  -17.9297
            10  N4y N    19.1981  -17.2265
            11  C8y C    21.6587  -20.0388
            12  N4x N    22.8539  -19.3356
            13  C8y C    22.8539  -17.9297
            14  N5x N    21.6587  -17.2265
            15  C1b C    19.1981  -15.8206
            16  C1c C    18.0030  -15.1175
            17  C1c C    18.0030  -13.7113
            18  O1a O    16.8078  -15.8206
            19  O1a O    19.1981  -13.0084
            20  C1c C    16.8078  -13.0084
            21  O1a O    15.6126  -13.7113
            22  C1b C    16.8078  -11.6023
            23  O1a O    15.6126  -10.8993
            24  N1b N    14.3471  -17.2265
            25  C1a C    14.3471  -20.0388
            26  O5x O    21.6587  -21.4449
            27  O5x O    24.0490  -17.2265
            28  C1a C    13.1394  -17.9109
BOND        30
            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

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