KEGG   COMPOUND: C12266Help
Entry
C12266            NRP       Compound                               

Name
Iturin A
Formula
C37H51N12O14R
Structure
Mol fileKCF fileDB searchJmolKegDraw
Sequence
0 FA  1 Asn  2 D-Tyr  3 D-Asn  4 Gln  5 Pro  6 D-Asn  7 Ser
  Gene
1 ituA [UP:Q93I56]; 2-5 ituB [UP:Q93I55]; 6-7 ituC [UP:Q93I54]
  Organism
Bacillus subtilis [GN:bsu]
Comment
Generic compound
R = fatty acid
Pathway
Nonribosomal peptide structures
Other DBs
CAS: 
52229-90-0
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        64
            1   O5a O    22.8326  -25.8747
            2   O5a O    22.5998  -24.6399
            3   C5a C    23.7703  -23.9625
            4   C1c C    25.3781  -24.5764
            5   C1b C    25.2442  -26.0158
            6   C5a C    24.2148  -26.7002
            7   C5a C    27.7787  -24.3712
            8   C1c C    21.8658  -17.5135
            9   C1b C    23.0301  -16.8503
            10  C5a C    24.2014  -17.5206
            11  N1b N    25.3656  -16.8503
            12  O5a O    24.2195  -18.6425
            13  N1b N    21.8487  -19.7361
            14  C1c C    25.3587  -15.5027
            15  C5a C    26.5154  -14.8192
            16  N1b N    27.6866  -15.4973
            17  C1c C    28.8578  -14.8138
            18  C1b C    24.4344  -14.5139
            19  C5a C    30.0288  -15.4851
            20  N1b N    30.0359  -16.8329
            21  O5a O    31.1928  -14.8016
            22  C1b C    28.8507  -13.4592
            23  C8y C    30.0147  -12.7829
            24  C1c C    31.2069  -17.4970
            25  C5a C    31.2291  -18.9105
            26  C1b C    32.3831  -16.8293
            27  C5a C    33.5492  -17.5023
            28  N1a N    34.7182  -16.8346
            29  O5a O    29.8645  -19.3860
            30  N1b N    31.9598  -19.9803
            31  C1c C    31.1988  -21.3560
            32  C5a C    30.1072  -21.6975
            33  N1y N    30.0791  -23.2711
            34  C1b C    32.5078  -22.1021
            35  N1b N    26.5392  -23.4697
            36  O5a O    28.8073  -20.9396
            37  N1b N    23.2842  -22.4103
            38  C1c C    21.9083  -22.4034
            39  C5a C    21.0969  -20.9638
            40  C1b C    21.1321  -22.9889
            41  O1a O    21.1270  -24.5017
            42  O5a O    19.5799  -20.9640
            43  O5a O    27.7781  -25.6675
            44  O5a O    26.5156  -13.4645
            45  N1a N    24.2156  -28.2738
            46  O5a O    33.5462  -18.8430
            47  C5a C    23.0572  -14.5156
            48  N1a N    22.2360  -13.6941
            49  O5a O    22.4377  -15.6844
            50  C8x C    31.1762  -13.4554
            51  C8x C    32.3403  -12.7790
            52  C8y C    32.3428  -11.4339
            53  C8x C    31.1744  -10.7652
            54  C8x C    30.0103  -11.4415
            55  O1a O    33.5081  -10.7527
            56  C1b C    33.7387  -21.4906
            57  C5a C    35.0457  -22.1763
            58  O5a O    36.4812  -21.4872
            59  N1a N    35.0446  -23.3395
            60  C1x C    31.3483  -24.1818
            61  C1x C    31.0641  -25.4530
            62  C1x C    29.6320  -25.4600
            63  C1y C    29.0903  -24.3250
            64  R   R    20.6969  -16.8266
BOND        66
            1    14  15 1
            2    15  16 1
            3     7  35 1
            4     3   4 1
            5    16  17 1
            6    32  36 2
            7    14  18 1 #Up
            8     4   5 1 #Down
            9     4  35 1
            10    3  37 1
            11   38  39 1
            12   39  13 1
            13   38  37 1
            14   38  40 1 #Up
            15   40  41 1
            16   17  19 1
            17    5   6 1
            18   19  20 1
            19   39  42 2
            20   19  21 2
            21    7  43 2
            22   15  44 2
            23   17  22 1 #Down
            24    6  45 1
            25   22  23 1
            26   27  46 2
            27    6   1 2
            28   18  47 1
            29    8   9 1
            30   47  48 1
            31   20  24 1
            32   47  49 2
            33    9  10 1
            34   24  25 1
            35   24  26 1 #Down
            36   10  11 1
            37   26  27 1
            38   23  50 2
            39   50  51 1
            40   51  52 2
            41   52  53 1
            42   53  54 2
            43   54  23 1
            44   27  28 1
            45   52  55 1
            46   10  12 2
            47   34  56 1
            48   25  29 2
            49   56  57 1
            50    2   3 2
            51   57  58 2
            52   25  30 1
            53   57  59 1
            54    8  13 1
            55   30  31 1
            56   31  32 1
            57   11  14 1
            58   33  60 1
            59   60  61 1
            60   61  62 1
            61   63  62 1
            62   63  33 1
            63   63   7 1
            64   32  33 1
            65    8  64 1
            66   31  34 1 #Up

» Japanese version

DBGET integrated database retrieval system