KEGG   COMPOUND: C11817Help
Entry
C11817                      Compound                               

Name
Deoxytubulosine
Formula
C29H37N3O2
Exact mass
459.2886
Mol weight
459.623
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C11817  Deoxytubulosine
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C8y C    29.2171  -22.8303
            2   C8y C    29.1763  -24.2414
            3   C1y C    27.9867  -22.1656
            4   N4x N    30.5465  -22.3697
            5   C8y C    30.5932  -24.6380
            6   C1x C    28.0510  -24.9645
            7   C1b C    26.7740  -21.4601
            8   N1x N    26.7856  -22.8887
            9   C8y C    31.4037  -23.4950
            10  C8x C    31.1938  -25.9150
            11  C1x C    26.8206  -24.2881
            12  C1y C    26.7740  -20.0666
            13  C8x C    32.8091  -23.6176
            14  C8x C    32.5933  -26.0374
            15  C1x C    25.5729  -19.3610
            16  C1y C    27.9927  -19.3843
            17  C8x C    33.3979  -24.8887
            18  C1y C    25.5845  -17.9674
            19  C1x C    28.0043  -17.9908
            20  C1b C    29.1997  -20.0783
            21  C8y C    24.3775  -17.2677
            22  N1y N    26.8031  -17.2794
            23  C1a C    30.4067  -19.3726
            24  C8y C    24.3833  -15.8625
            25  C8x C    23.1705  -17.9732
            26  C1x C    26.8090  -15.8740
            27  C8x C    23.1705  -15.1685
            28  C1x C    25.6020  -15.1744
            29  C8y C    21.9518  -17.2677
            30  C8y C    21.9518  -15.8625
            31  O2a O    20.7448  -17.9732
            32  O2a O    20.7448  -15.1685
            33  C1a C    19.5380  -15.8682
            34  C1a C    19.5329  -17.2821
BOND        39
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     4   9 1
            8     5  10 1
            9     6  11 1
            10    7  12 1
            11    9  13 1
            12   10  14 2
            13   12  15 1
            14   12  16 1
            15   13  17 2
            16   15  18 1
            17   16  19 1
            18   16  20 1 #Down
            19   18  21 1
            20   18  22 1
            21   20  23 1
            22   21  24 2
            23   21  25 1
            24   22  26 1
            25   24  27 1
            26   24  28 1
            27   25  29 2
            28   27  30 2
            29   29  31 1
            30   30  32 1
            31    5   9 2
            32    8  11 1
            33   14  17 1
            34   19  22 1
            35   26  28 1
            36   29  30 1
            37   32  33 1
            38    1   2 2
            39   31  34 1

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