KEGG   COMPOUND: C12043
Entry
C12043                      Compound                               
Name
Surfactin
Formula
C53H93N7O13
Exact mass
1035.6831
Mol weight
1036.3446
Structure
Sequence
0 FA  1 Glu  2 Leu  3 D-Leu  4 Val  5 Asp  6 D-Leu  7 Leu
  Gene
[1] 1-3 SrfAA [bsu:BSU03480]; 4-6 srfAB [bsu:BSU03490] 7 srfAC
    [bsu:BSU03510]
[2] 1-3 SrfAA [UP:Q70KJ7]; 4-6 SrfAB [UP:Q70KJ6]; 7 SrfAC
    [UP:Q70KJ4]
  Organism
[1] Bacillus subtilis [GN:bsu]
[2] Bacillus amyloliquefaciens
  Type
NRP
Comment
FA = beta-hydroxy fatty acid
Pathway
map01054  Nonribosomal peptide structures
Other DBs
CAS: 24730-31-2
PubChem: 14198
ChEBI: 29681 71978
3DMET: B04413
NIKKAJI: J690.160C
LinkDB
KCF data

ATOM        73
            1   C1a C    28.7240  -25.7761
            2   O5a O    28.5144  -24.4302
            3   C5a C    29.8916  -23.7538
            4   C1c C    31.0591  -24.4302
            5   C1b C    31.0591  -25.7761
            6   C1c C    29.8916  -26.4456
            7   C5a C    33.8551  -24.5258
            8   C1c C    35.1531  -24.5190
            9   C1a C    15.2026  -16.6139
            10  C1c C    16.3641  -17.2835
            11  C1b C    17.5255  -16.6208
            12  C1b C    18.6939  -17.2904
            13  C1b C    19.8555  -16.6275
            14  C1b C    21.0170  -17.2972
            15  C1b C    22.1853  -16.6344
            16  C1b C    23.3467  -17.3041
            17  C1b C    24.5015  -16.6413
            18  C1b C    25.6630  -17.3110
            19  C1b C    26.8313  -16.6480
            20  C1c C    27.9928  -17.3177
            21  C1b C    29.1543  -16.6549
            22  C5a C    30.3226  -17.3246
            23  N1b N    31.4842  -16.6551
            24  O5a O    30.3402  -18.4450
            25  O7a O    27.9692  -19.5381
            26  C1c C    31.4774  -15.3089
            27  C5a C    32.6318  -14.6266
            28  N1b N    33.8000  -15.3038
            29  C1c C    34.9681  -14.6215
            30  C1b C    30.3092  -14.6384
            31  C1b C    29.1410  -15.3208
            32  C6a C    27.9731  -14.6503
            33  C5a C    36.1363  -15.2921
            34  N1b N    36.1432  -16.6380
            35  O5a O    37.2976  -14.6098
            36  C1b C    34.9612  -13.2758
            37  C1c C    36.1227  -12.6002
            38  C1a C    36.1158  -11.2474
            39  C1a C    37.2907  -13.2638
            40  C1c C    37.3113  -17.3018
            41  C5a C    37.3327  -18.7115
            42  C1b C    38.4843  -16.6346
            43  C1c C    39.6475  -17.3069
            44  C1a C    40.8138  -16.6397
            45  O5a O    35.9703  -19.1856
            46  N1b N    38.0865  -20.1504
            47  C1c C    38.0891  -21.9950
            48  C5a C    37.3396  -23.1594
            49  N1b N    35.6998  -23.1594
            50  C1c C    39.5206  -22.6765
            51  C1a C    40.7553  -22.4733
            52  C1a C    39.5195  -24.1143
            53  N1b N    32.4770  -23.7684
            54  C1b C    35.8297  -25.7489
            55  O5a O    37.7481  -24.5228
            56  C6a C    36.7194  -26.0247
            57  O6a O    36.7181  -27.4603
            58  O6a O    38.0206  -25.4795
            59  N1b N    29.4071  -22.2027
            60  C1c C    28.0339  -22.1961
            61  C7a C    27.2209  -20.7612
            62  C1b C    26.2413  -23.0994
            63  O6a O    27.9662  -13.3044
            64  C1a C    16.3611  -18.6295
            65  O6a O    26.1300  -20.7612
            66  O5a O    33.8560  -26.1636
            67  O5a O    32.6250  -13.2807
            68  C1a C    29.8786  -27.7918
            69  C1a C    39.6447  -18.6459
            70  O6a O    26.8040  -15.3311
            71  C1c C    25.2630  -22.3782
            72  C1a C    23.8904  -23.0845
            73  C1a C    25.2506  -21.0283
BOND        73
            1    37  38 1
            2    20  21 1
            3    37  39 1
            4    11  12 1
            5    34  40 1
            6    21  22 1
            7    40  41 1
            8    40  42 1 #Down
            9    22  23 1
            10   42  43 1
            11   12  13 1
            12   43  44 1
            13   22  24 2
            14   41  45 2
            15    2   3 2
            16   41  46 1
            17   20  25 1
            18   46  47 1
            19   13  14 1
            20   47  48 1
            21   23  26 1
            22   48  49 1
            23    7   8 1
            24   47  50 1 #Up
            25   26  27 1
            26   50  51 1
            27   14  15 1
            28   50  52 1
            29    8  49 1
            30   27  28 1
            31    7  53 1
            32    3   4 1
            33    8  54 1 #Up
            34   28  29 1
            35   48  55 2
            36   15  16 1
            37   54  56 1
            38   26  30 1 #Up
            39   56  57 2
            40    4   5 1 #Down
            41   56  58 1
            42    4  53 1
            43   30  31 1
            44    3  59 1
            45   16  17 1
            46   31  32 1
            47   60  61 1
            48   61  25 1
            49   60  59 1
            50    9  10 1
            51   60  62 1 #Up
            52   17  18 1
            53   29  33 1
            54    5   6 1
            55   32  63 2
            56   33  34 1
            57   10  64 1
            58   18  19 1
            59   61  65 2
            60   33  35 2
            61    7  66 2
            62   10  11 1
            63   27  67 2
            64   29  36 1 #Up
            65    6  68 1
            66   19  20 1
            67   36  37 1
            68   43  69 1
            69    6   1 1
            70   32  70 1
            71   62  71 1
            72   71  72 1
            73   71  73 1

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