KEGG   COMPOUND: C15702
Entry
C15702                      Compound                               
Name
Tubulysin A
Formula
C43H65N5O10S
Exact mass
843.4452
Mol weight
844.0687
Structure
Sequence
0 Pip  1 Ile  2 Val  3 Mao  4 Cys  5 Tyr  6 Mtn
  Gene
0 TubB [UP:Q5ZPB0] 1-2 TubC [UP:Q5ZPA9] 3-4 TubD [UP:Q5ZPA8]
5 TubE [UP:Q5ZPA7] 6 TubF [UP:Q5ZPA6]
  Organism
Angiococcus disciformis
  Type
PKNRP
Comment
0 Pip is modified by N-methyl. (i.e. N-Methyl-L-pipecolic acid)
Other DBs
PubChem: 47205028
ChEBI: 80034
KNApSAcK: C00015653
NIKKAJI: J1.435.028D
LinkDB
KCF data

ATOM        59
            1   C1x C    23.1000  -25.6200
            2   C1x C    23.1000  -27.0200
            3   N1y N    24.2900  -27.7200
            4   C1y C    25.5500  -27.0200
            5   C1x C    25.5500  -25.6200
            6   C1x C    24.2900  -24.9200
            7   C5a C    26.7400  -27.7200
            8   N1b N    28.0000  -27.0200
            9   C1c C    29.1900  -27.7200
            10  C5a C    30.3800  -27.0200
            11  N1c N    31.6400  -27.7200
            12  C1c C    32.8300  -27.0200
            13  C1b C    34.0200  -27.7200
            14  C1c C    35.2800  -27.0200
            15  C8y C    36.4700  -27.7200
            16  O5a O    26.7400  -29.1200
            17  C1a C    24.2900  -29.1200
            18  C1c C    29.1900  -29.1200
            19  C1a C    30.3800  -29.8200
            20  C1b C    28.0000  -29.8200
            21  C1a C    28.0000  -31.2200
            22  O5a O    30.3800  -25.6200
            23  C1b C    31.6400  -29.1200
            24  O7a O    32.8300  -29.8200
            25  C7a C    32.8300  -31.2200
            26  O6a O    31.6400  -31.9200
            27  C1b C    34.0200  -31.9200
            28  C1c C    34.0200  -33.3200
            29  C1a C    32.8300  -34.0200
            30  C1a C    35.2100  -34.0200
            31  C1c C    32.8300  -25.6200
            32  C1a C    34.0200  -24.9200
            33  C1a C    31.6400  -24.9200
            34  O7a O    35.2800  -25.6200
            35  C7a C    36.4700  -24.9200
            36  C1a C    37.6600  -25.6200
            37  O6a O    36.4700  -23.5200
            38  S2x S    36.8900  -29.0500
            39  C8x C    38.2900  -29.0500
            40  C8y C    38.7100  -27.7200
            41  N5x N    37.5900  -26.8800
            42  C5a C    39.9000  -27.0200
            43  N1b N    41.1600  -27.7200
            44  C1c C    42.3500  -27.0200
            45  C1b C    43.5400  -27.7200
            46  O5a O    39.9000  -25.6200
            47  C1b C    42.3500  -25.6200
            48  C8y C    43.5400  -24.9200
            49  C8x C    44.7300  -25.6200
            50  C8x C    45.9900  -24.9200
            51  C8y C    45.9900  -23.5200
            52  C8x C    44.8000  -22.8200
            53  C8x C    43.5400  -23.5200
            54  O1a O    47.1800  -22.8200
            55  C1c C    43.5400  -29.1200
            56  C6a C    44.7300  -29.8200
            57  C1a C    42.3500  -29.8200
            58  O6a O    44.7300  -31.2200
            59  O6a O    45.9200  -29.1200
BOND        61
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    7  16 2
            17    3  17 1
            18    9  18 1
            19   18  19 1 #Up
            20   18  20 1
            21   20  21 1
            22   10  22 2
            23   11  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 2
            27   25  27 1
            28   27  28 1
            29   28  29 1
            30   28  30 1
            31   12  31 1 #Up
            32   31  32 1
            33   31  33 1
            34   14  34 1 #Up
            35   34  35 1
            36   35  36 1
            37   35  37 2
            38   38  39 1
            39   39  40 2
            40   40  41 1
            41   41  15 2
            42   38  15 1
            43   40  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   42  46 2
            48   44  47 1 #Up
            49   47  48 1
            50   48  49 2
            51   49  50 1
            52   50  51 2
            53   51  52 1
            54   52  53 2
            55   48  53 1
            56   51  54 1
            57   45  55 1
            58   55  56 1
            59   55  57 1 #Up
            60   56  58 1
            61   56  59 2

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