KEGG   COMPOUND: C12042
Entry
C12042                      Compound                               
Name
Fengycin
Formula
C72H110N12O20
Exact mass
1462.7959
Mol weight
1463.7122
Structure
Sequence
0 FA  1 Glu  2 D-Orn  3 Tyr  4 D-allo-Thr  5 Glu  6 D-Ala  7 Pro
8 Gln  9 D-Tyr  10 Ile  (Cyclization: 3-10)
  Gene
[1] 1-2 fenC [UP:O87606]; 3-4 fenD [UP:O87704]; 5-6 fenE
    [UP:O30981]; 7-9 fenA [UP:O30980]; 10 fenB [UP:Q45563]
[2] 1-2 fenA [UP:Q70JX1]; 3-4 fenB [UP:Q70JX2]; 5-6 fenC
    [UP:Q70JX3]; 7-9 fenD [UP:Q70JX4]; 10 fenE [UP:Q70JX5]
  Organism
[1] Bacillus subtilis [GN:bsu]
[2] Bacillus amyloliquefaciens
  Type
NRP
Pathway
map01054  Nonribosomal peptide structures
Other DBs
CAS: 102577-03-7
PubChem: 14197
ChEBI: 29583
3DMET: B05603
NIKKAJI: J1.136.910C
LinkDB
KCF data

ATOM        104
            1   C1c C     7.7353  -11.9114
            2   C1b C     8.9477  -11.2094
            3   C5a C    10.1602  -11.9044
            4   N1b N    11.3726  -11.2024
            5   C1c C    12.5850  -11.8973
            6   C5a C    13.7974  -11.1953
            7   N1b N    15.0098  -11.8901
            8   C1c C    16.2222  -11.1881
            9   N1b N    18.6471  -11.1812
            10  C1c C    19.8595  -11.8760
            11  C5a C    21.0720  -11.1740
            12  N1b N    22.2843  -11.8688
            13  C1c C    23.4967  -11.1669
            14  C5a C    24.7092  -11.8619
            15  N1b N    25.9216  -11.1599
            16  C1c C    27.1340  -11.8547
            17  C1b C     7.7282  -13.3152
            18  C1b C     8.9404  -14.0232
            19  C1b C     8.9265  -15.4210
            20  C1b C    10.1352  -16.1352
            21  C1b C    10.1246  -17.5339
            22  C1b C    11.3352  -18.2448
            23  C1b C    11.3229  -19.6468
            24  C1b C    12.5324  -20.3593
            25  C1b C    12.5211  -21.7596
            26  C1b C    13.7312  -22.4714
            27  C1b C    13.7193  -23.8725
            28  O5a O    10.1632  -13.3083
            29  C1b C    12.5881  -13.3011
            30  C1b C    13.8054  -14.0003
            31  C6a C    13.7974  -15.3997
            32  O6a O    12.5777  -16.0949
            33  O6a O    15.0091  -16.1086
            34  O5a O    13.7943   -9.7914
            35  C1b C    16.2192   -9.7843
            36  C1b C    17.4333   -9.0799
            37  C1b C    17.4302   -7.6760
            38  N1a N    18.6445   -6.9713
            39  C1b C    18.6399  -12.5707
            40  O5a O    21.0689   -9.7702
            41  C1c C    23.4937   -9.7630
            42  O1a O    24.7078   -9.0586
            43  C1a C    22.2763   -8.8539
            44  C5a C    27.1371  -13.2586
            45  C1b C    28.3478  -11.1495
            46  C1b C    28.3393   -9.7417
            47  C6a C    29.5508   -9.0325
            48  O6a O    29.5421   -7.6287
            49  O6a O    30.7707   -9.7271
            50  O5a O    25.9228  -13.9632
            51  N1b N    28.3544  -13.9577
            52  C1c C    28.3472  -15.2864
            53  C5a C    29.5542  -16.0639
            54  C1x C    30.2252  -19.6397
            55  C1x C    30.6621  -18.3054
            56  N1y N    29.5232  -17.4773
            57  C1y C    28.3846  -18.3054
            58  C1x C    28.8213  -19.6397
            59  C5a C    17.4282  -11.8620
            60  C1a C    15.4635  -21.1924
            61  C1b C    16.6759  -20.4905
            62  C1c C    17.8883  -21.1852
            63  C1c C    19.1007  -20.4834
            64  N1b N    20.3131  -21.1783
            65  C5a C    21.5256  -20.4764
            66  C1c C    22.7380  -21.1711
            67  N1b N    23.9504  -20.4693
            68  C5a C    25.1628  -21.1640
            69  C1c C    26.3752  -20.4621
            70  C1a C    17.8913  -22.5891
            71  C7a C    19.0977  -19.0795
            72  O7a O    20.3120  -18.3750
            73  O6a O    17.8803  -18.3803
            74  C1b C    22.7411  -22.5750
            75  O5a O    25.1658  -22.5678
            76  N1b N    26.3682  -19.0583
            77  C1b C    27.5933  -21.1602
            78  C1b C    27.5807  -22.5609
            79  C5a C    28.7900  -23.2737
            80  N1a N    28.7773  -24.6776
            81  O5a O    21.4593  -19.0742
            82  C8y C    19.9375  -17.0093
            83  C8x C    20.9328  -16.0021
            84  C8x C    20.5583  -14.6364
            85  C8y C    19.1883  -14.2778
            86  C8x C    18.1929  -15.2850
            87  C8x C    18.5675  -16.6507
            88  C5a C    27.2616  -18.0869
            89  O1a O     6.5208  -11.2072
            90  C1b C    12.4976  -24.5643
            91  C1a C    11.2879  -23.8521
            92  O5a O    17.4282  -13.2659
            93  O5a O    24.7122  -13.2657
            94  O5a O    30.7797  -15.3788
            95  O5a O    30.0122  -22.5828
            96  C8y C    21.5269  -23.2797
            97  C8x C    20.3128  -22.5806
            98  C8x C    19.0985  -23.2851
            99  C8y C    19.1017  -24.6890
            100 C8x C    20.3189  -25.3883
            101 C8x C    21.4632  -24.6837
            102 O1a O    17.8874  -25.3936
            103 O5a O    27.2545  -16.8958
            104 C1a C    27.2560  -15.7947
BOND        107
            1    13  12 1 #Down
            2    26  27 1
            3     6   7 1
            4     3  28 2
            5    13  14 1
            6    54  55 1
            7    55  56 1
            8    56  57 1
            9    57  58 1
            10   58  54 1
            11   53  56 1
            12    5  29 1 #Down
            13    3   4 1
            14   29  30 1
            15   60  61 1
            16   14  15 1
            17   61  62 1
            18   30  31 1
            19   62  63 1
            20    7   8 1
            21   63  64 1 #Up
            22   31  32 2
            23   64  65 1
            24   15  16 1
            25   65  66 1
            26   31  33 1
            27   66  67 1
            28    8  59 1
            29   67  68 1
            30    6  34 2
            31   68  69 1
            32    1  17 1
            33   62  70 1 #Up
            34    8  35 1 #Down
            35   63  71 1
            36   71  72 1
            37   35  36 1
            38   71  73 2
            39   65  81 2
            40   17  18 1
            41   66  74 1 #Down
            42   36  37 1
            43   68  75 2
            44   59   9 1
            45   69  76 1
            46   37  38 1
            47   69  77 1 #Up
            48   18  19 1
            49   77  78 1
            50   10  39 1 #Down
            51   78  79 1
            52    4   5 1
            53   79  80 1
            54   11  40 2
            55   19  20 1
            56   72  82 1
            57   13  41 1
            58    9  10 1
            59   41  42 1 #Up
            60   20  21 1
            61   41  43 1
            62   82  83 2
            63   83  84 1
            64   84  85 2
            65   85  86 1
            66   86  87 2
            67   87  82 1
            68   39  85 1
            69    2   3 1
            70   88  57 1
            71   88  76 1
            72   16  44 1
            73    1  89 1 #Up
            74   21  22 1
            75   27  90 1
            76   16  45 1 #Up
            77   90  91 1
            78   10  11 1
            79   59  92 2
            80   45  46 1
            81   14  93 2
            82   22  23 1
            83   53  94 2
            84   46  47 1
            85   79  95 2
            86    5   6 1
            87   47  48 1
            88   23  24 1
            89   47  49 2
            90   11  12 1
            91   44  50 2
            92   96  97 2
            93   97  98 1
            94   98  99 2
            95   99 100 1
            96  100 101 2
            97  101  96 1
            98   24  25 1
            99   99 102 1
            100  74  96 1
            101  44  51 1
            102   1   2 1
            103  51  52 1
            104  25  26 1
            105  88 103 2
            106  53  52 1
            107  52 104 1 #Up

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