KEGG   COMPOUND: C15715Help
Entry
C15715                      Compound                               

Name
Myxochromide S2
Formula
C39H56N6O8
Exact mass
736.416
Mol weight
736.8973
Structure
Mol fileKCF fileDB search
Sequence
0 FA  1 Thr  2 Leu  3 Ala  5 Ala  6 Gln  (Cyclization: 1-6)
  Gene
0 mchA [UP:Q50JA4]; 1-2 mchB [UP:Q50JA3]; 3-6 mchC [UP:Q50JA2]
  Organism
Stigmatella aurantiaca
  Type
NRP
Comment
1 Thr is modified by N-methyl. (i.e. N-Methylthreonine, MeThr)
Other DBs
PubChem: 47205041
ChEBI: 80045
NIKKAJI: J2.795.766H
LinkDB All DBs
KCF data Show

ATOM        53
            1   C5x C    31.9900  -24.9900
            2   N1x N    33.1800  -24.2900
            3   C1y C    33.1800  -22.8900
            4   O5x O    34.3700  -24.9900
            5   N1x N    35.6300  -22.8900
            6   C5x C    34.3700  -22.1900
            7   C1a C    36.8200  -24.9900
            8   N1x N    38.0100  -24.2900
            9   C5x C    38.0100  -22.8900
            10  C1y C    36.8200  -22.1900
            11  C5x C    34.3700  -26.3900
            12  C1y C    35.6300  -27.0900
            13  C1y C    36.8200  -26.3900
            14  O7x O    38.0100  -27.0900
            15  C7x C    39.2700  -26.3900
            16  C1y C    39.2700  -24.9900
            17  C1y C    31.9900  -26.3900
            18  N1x N    33.1800  -27.0900
            19  C1b C    40.4600  -24.2900
            20  C1b C    41.6500  -24.9900
            21  C5a C    42.8400  -24.2900
            22  N1a N    44.1000  -24.9900
            23  O5a O    42.8400  -22.8900
            24  O6a O    40.4600  -27.0900
            25  O5x O    39.2700  -22.1900
            26  C1a C    36.8200  -20.7900
            27  O5x O    34.3700  -20.7900
            28  C1a C    31.9900  -22.1900
            29  O5x O    30.7300  -24.2900
            30  C1b C    30.7300  -27.0900
            31  C1c C    29.5400  -26.4600
            32  C1a C    28.3500  -27.0900
            33  C1a C    29.5400  -24.9900
            34  N1c N    35.6300  -28.4900
            35  C1a C    34.3700  -29.2600
            36  C5a C    36.8200  -29.1900
            37  C2b C    38.0100  -28.4900
            38  O5a O    36.8200  -30.5900
            39  C2b C    39.2000  -29.1900
            40  C2b C    40.3900  -28.4900
            41  C2b C    41.5800  -29.1900
            42  C2b C    42.8400  -28.4900
            43  C2b C    44.0300  -29.1900
            44  C2b C    45.2200  -28.4900
            45  C2b C    46.4800  -29.1900
            46  C2b C    47.6700  -28.4900
            47  C2b C    48.8600  -29.1900
            48  C2b C    50.1200  -28.4900
            49  C2b C    51.3100  -29.1900
            50  C2b C    52.5000  -28.4900
            51  C2b C    53.7600  -29.1900
            52  C1b C    54.9500  -28.5600
            53  C1a C    56.1359  -29.3040
BOND        53
            1     1   2 1
            2     2   3 1
            3     5   6 1
            4     3   6 1
            5     8   9 1
            6     9  10 1
            7     5  10 1
            8     4  11 2
            9    11  12 1
            10   12  13 1
            11   13   7 1 #Up
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16   8 1
            16    1  17 1
            17   17  18 1
            18   11  18 1
            19   16  19 1 #Up
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 2
            24   15  24 2
            25    9  25 2
            26   10  26 1 #Up
            27    6  27 2
            28    3  28 1 #Up
            29    1  29 2
            30   17  30 1 #Up
            31   30  31 1
            32   31  32 1
            33   31  33 1
            34   12  34 1 #Down
            35   34  35 1
            36   34  36 1
            37   36  37 1
            38   36  38 2
            39   37  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   50  51 2
            52   51  52 1
            53   52  53 1

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