KEGG   COMPOUND: C15712
Entry
C15712                      Compound                               
Name
Melithiazole E;
Cystothiazole A
Formula
C20H26N2O4S2
Exact mass
422.1334
Mol weight
422.5614
Structure
Sequence
0 Iso  1 Cys  2 Cys  3 Mam  4 Mtm  5 Man  6 Gly
  Gene
0 ctaB [UP:Q5MD36]; 1 ctaC [UP:Q5MD35]; 2-3 ctaD [UP:Q5MD34];
4 ctaE [UP:Q5MD33]; 5 ctaF [UP:Q5MD32]; 6 ctaG [UP:Q5MD31]
  Organism
Cystobacter fuscus strain AJ-13278
  Type
PKNRP
Other DBs
PubChem: 47205038
ChEBI: 65716
KNApSAcK: C00016023
NIKKAJI: J939.984D
LinkDB
KCF data

ATOM        28
            1   C8y C    41.0200  -26.0400
            2   C8y C    42.4200  -26.0400
            3   S2x S    43.2600  -27.1600
            4   C8x C    44.5900  -26.7400
            5   C8y C    44.5900  -25.3400
            6   N5x N    43.2600  -24.9200
            7   C8x C    40.1800  -24.9200
            8   S2x S    38.8500  -25.3400
            9   C8y C    38.8500  -26.7400
            10  N5x N    40.1800  -27.1600
            11  C1c C    37.6600  -27.4400
            12  C1a C    36.4000  -26.7400
            13  C2b C    45.7800  -24.6400
            14  C2b C    47.0400  -25.3400
            15  C1c C    48.2300  -24.6400
            16  C1c C    49.4200  -25.3400
            17  C1a C    37.6600  -28.9100
            18  O2a O    48.2300  -23.2400
            19  C2c C    50.6100  -24.6400
            20  C2b C    51.8000  -25.3400
            21  C1a C    47.0400  -22.5400
            22  O2a O    50.6100  -23.2400
            23  C1a C    49.4200  -26.7400
            24  C7a C    51.8000  -26.7400
            25  O7a O    52.9900  -27.4400
            26  O6a O    50.6100  -27.4400
            27  C1a C    51.8000  -22.5400
            28  C1a C    54.2081  -26.7499
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     2   6 2
            7     1   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    1  10 1
            12    9  11 1
            13   11  12 1
            14    5  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   11  17 1
            19   15  18 1 #Down
            20   16  19 1
            21   19  20 2
            22   18  21 1
            23   19  22 1
            24   16  23 1 #Down
            25   20  24 1
            26   24  25 1
            27   24  26 2
            28   22  27 1
            29   25  28 1

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