KEGG   COMPOUND: C22273
Entry
C22273                      Compound                               

Name
Petrobactin
Formula
C34H50N6O11
Exact mass
718.3538
Mol weight
718.7944
Structure
Reaction
Pathway
map01053  Biosynthesis of siderophore group nonribosomal peptides
Other DBs
PubChem: 405226446
ChEBI: 142778
PDB-CCD: F8W[PDBj]
KCF data

ATOM        51
            1   C8y C     5.3900  -14.1400
            2   C5a C     6.5800  -14.8400
            3   N1b N     7.8400  -14.1400
            4   C1b C     9.0300  -14.8400
            5   C1b C    10.2200  -14.1400
            6   C1b C    11.4800  -14.8400
            7   N1b N    12.6700  -14.1400
            8   C1b C    13.8600  -14.8400
            9   C1b C    15.1200  -14.1400
            10  C1b C    16.3100  -14.8400
            11  C1b C    17.5000  -14.1400
            12  N1b N    18.7600  -14.8400
            13  C5a C    19.9500  -14.1400
            14  C1b C    21.1400  -14.8400
            15  C1d C    22.3300  -14.1400
            16  C1b C    23.5900  -14.8400
            17  C5a C    24.7800  -14.1400
            18  N1b N    25.9700  -14.8400
            19  C1b C    27.2300  -14.1400
            20  C1b C    28.4200  -14.8400
            21  C1b C    29.6100  -14.1400
            22  C1b C    30.8700  -14.8400
            23  N1b N    32.0600  -14.1400
            24  C1b C    33.2500  -14.8400
            25  C8x C     4.2000  -14.8400
            26  C8x C     2.9400  -14.1400
            27  C8y C     2.9400  -12.7400
            28  C8y C     4.2000  -12.0400
            29  C8x C     5.3900  -12.7400
            30  O1a O     4.2000  -10.6400
            31  O1a O     1.7500  -12.0400
            32  O5a O     6.5800  -16.2400
            33  O5a O    19.9500  -12.8800
            34  C6a C    22.3300  -12.7400
            35  O6a O    21.1400  -12.0400
            36  O6a O    23.5200  -12.0400
            37  O1a O    22.3300  -15.6100
            38  O5a O    24.7800  -12.8800
            39  C1b C    34.4400  -14.1400
            40  C1b C    35.6300  -14.8400
            41  N1b N    36.8200  -14.1400
            42  C5a C    38.0100  -14.8400
            43  C8y C    39.2000  -14.1400
            44  C8x C    40.3900  -14.8400
            45  C8x C    41.6500  -14.1400
            46  O5a O    38.0100  -16.2400
            47  C8x C    39.2000  -12.7400
            48  C8y C    41.6500  -12.7400
            49  C8y C    40.4600  -12.0400
            50  O1a O    40.4600  -10.6400
            51  O1a O    42.8400  -12.0400
BOND        52
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24    1  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29    1  29 1
            30   28  30 1
            31   27  31 1
            32    2  32 2
            33   13  33 2
            34   15  34 1
            35   34  35 1
            36   34  36 2
            37   15  37 1
            38   17  38 2
            39   24  39 1
            40   39  40 1
            41   40  41 1
            42   41  42 1
            43   42  43 1
            44   43  44 1
            45   44  45 2
            46   42  46 2
            47   43  47 2
            48   45  48 1
            49   48  49 2
            50   47  49 1
            51   49  50 1
            52   48  51 1

» Japanese version

DBGET integrated database retrieval system