KEGG   COMPOUND: C06769Help
Entry
C06769                      Compound                               

Name
Vibriobactin
Formula
C35H39N5O11
Exact mass
705.2646
Mol weight
705.7111
Structure
Mol fileKCF fileDB search
Sequence
0 DHBA  1 Thr
  Gene
0-1 vibB [vch:VC0771] vibE [UP:Q9FDB2] vibF [UP:Q9FDB0]
  Organism
Vibrio cholerae [GN:vch]
  Type
NRP
Pathway
map01053  Biosynthesis of siderophore group nonribosomal peptides
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 88217-23-6
PubChem: 8989
ChEBI: 9973
NIKKAJI: J168.849I
KCF data Show

ATOM        51
            1   N1c N    28.2100  -22.8900
            2   C1b C    28.2100  -21.2800
            3   C1b C    27.0200  -20.5800
            4   C1b C    27.0200  -19.1800
            5   N1b N    25.8300  -18.4800
            6   C5a C    25.8300  -17.0800
            7   C8y C    24.6400  -16.3100
            8   C8x C    23.4500  -17.0800
            9   C8x C    22.2600  -16.3100
            10  C8x C    22.2600  -14.9100
            11  C8y C    23.4500  -14.2100
            12  C8y C    24.6400  -14.9100
            13  O1a O    25.8300  -14.2100
            14  O1a O    23.4500  -12.8100
            15  O5a O    27.0900  -16.3100
            16  C1b C    27.0200  -23.5900
            17  C1b C    25.7600  -22.8900
            18  C1b C    24.5700  -23.5900
            19  N1b N    23.3800  -22.8900
            20  C8x C    15.4000  -19.4600
            21  C8x C    15.4000  -20.8600
            22  C8x C    16.5900  -21.5600
            23  C8y C    17.8500  -20.8600
            24  C8y C    17.8500  -19.4600
            25  C8y C    16.5900  -18.7600
            26  O1a O    16.5900  -17.3600
            27  O1a O    19.1100  -18.6900
            28  C2y C    19.1100  -21.5600
            29  N2x N    19.5300  -22.8900
            30  C1y C    20.9300  -22.8200
            31  C1y C    21.3500  -21.4900
            32  O2x O    20.2300  -20.7200
            33  C1a C    22.6800  -21.0700
            34  C5a C    22.1900  -23.5200
            35  O5a O    22.1900  -24.9200
            36  C5a C    29.6800  -23.7300
            37  C1y C    30.9400  -23.1000
            38  N2x N    32.3400  -23.1000
            39  C2y C    32.7600  -21.7000
            40  O2x O    31.6400  -20.8600
            41  C1y C    30.5200  -21.7000
            42  O5a O    29.6800  -25.1300
            43  C8y C    33.9500  -21.0700
            44  C8x C    35.1400  -21.7000
            45  C8x C    36.4000  -21.0000
            46  C8x C    36.4000  -19.6000
            47  C8y C    35.1400  -18.9000
            48  C8y C    33.9500  -19.6700
            49  O1a O    32.7600  -18.9700
            50  O1a O    35.1400  -17.5700
            51  C1a C    29.1902  -21.2624
BOND        55
            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 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   12  13 1
            14   11  14 1
            15    6  15 2
            16    1  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   20  25 1
            26   25  26 1
            27   24  27 1
            28   23  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   28  32 1
            34   31  33 1 #Up
            35   30  34 1
            36   34  19 1
            37   34  35 2
            38   36  37 1
            39   37  38 1
            40   38  39 2
            41   39  40 1
            42   40  41 1
            43   37  41 1
            44   36  42 2
            45   39  43 1
            46   43  44 2
            47   44  45 1
            48   45  46 2
            49   46  47 1
            50   47  48 2
            51   43  48 1
            52   48  49 1
            53   47  50 1
            54    1  36 1
            55   41  51 1 #Up

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