KEGG   COMPOUND: C05821
Entry
C05821                      Compound                               

Name
Enterochelin;
Enterobactin;
Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester;
Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester
Formula
C30H27N3O15
Exact mass
669.1442
Mol weight
669.5465
Structure
Sequence
0 DHBA  1 Ser  (Trimer)
  Gene
0 entE [UP:P10378]; entB [UP:P0ADI4]; 1 entF [UP:P11454]
  Organism
Escherichia coli
  Type
NRP
Reaction
Pathway
map01053  Biosynthesis of siderophore group nonribosomal peptides
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.369       3.1.1.107       6.3.2.14
Other DBs
CAS: 28384-96-5
PubChem: 8116
ChEBI: 28855
ChEMBL: CHEMBL432995
KNApSAcK: C00000735
PDB-CCD: EB4[PDBj]
NIKKAJI: J17.543I
KCF data

ATOM        48
            1   C8y C    26.9293  -22.8480
            2   C5a C    26.9293  -21.4429
            3   C8y C    28.1480  -23.5353
            4   C8x C    25.7223  -23.5353
            5   N1b N    28.1421  -20.7428
            6   O5a O    25.7166  -20.7428
            7   C8y C    28.1480  -24.9346
            8   O1a O    29.3609  -22.8363
            9   C8x C    25.7223  -24.9346
            10  C1y C    28.1421  -19.3377
            11  C8x C    26.9351  -25.6405
            12  O1a O    29.3609  -25.6405
            13  C7x C    29.3549  -18.6444
            14  C1x C    26.9293  -18.6444
            15  O7x O    29.3549  -17.2452
            16  O6a O    30.5736  -19.3377
            17  O7x O    26.9293  -17.2452
            18  C1x C    30.5736  -16.5393
            19  C7x C    25.7166  -16.5393
            20  C1y C    30.5736  -15.1400
            21  C1y C    25.7166  -15.1400
            22  O6a O    24.5108  -17.2452
            23  N1b N    31.7865  -14.4410
            24  C7x C    29.3549  -14.4410
            25  N1b N    24.5108  -14.4410
            26  C1x C    26.9293  -14.4410
            27  C5a C    32.9994  -15.1400
            28  O7x O    28.1421  -15.1400
            29  O6a O    29.3549  -13.0416
            30  C5a C    23.2920  -15.1400
            31  C8y C    34.2121  -14.4410
            32  O5a O    32.9994  -16.5393
            33  C8y C    22.1491  -14.4410
            34  O5a O    23.2920  -16.5393
            35  C8y C    35.4120  -15.1341
            36  C8x C    34.2062  -13.0359
            37  C8y C    20.8723  -15.1458
            38  C8x C    22.0850  -13.0475
            39  C8y C    36.6249  -14.4410
            40  O1a O    35.4120  -16.5393
            41  C8x C    35.4120  -12.3357
            42  C8y C    19.6594  -14.4468
            43  O1a O    20.8780  -16.5450
            44  C8x C    20.8723  -12.3416
            45  C8x C    36.6249  -13.0359
            46  O1a O    37.8378  -15.1341
            47  C8x C    19.6594  -13.0475
            48  O1a O    18.4408  -15.1458
BOND        51
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9    10   5 1 #Up
            10    7  11 1
            11    7  12 1
            12   10  13 1
            13   10  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1 #Up
            23   20  24 1
            24   21  25 1 #Up
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28   24  29 2
            29   25  30 1
            30   27  31 1
            31   27  32 2
            32   30  33 1
            33   30  34 2
            34   31  35 2
            35   31  36 1
            36   33  37 1
            37   33  38 2
            38   35  39 1
            39   35  40 1
            40   36  41 2
            41   37  42 2
            42   37  43 1
            43   38  44 1
            44   39  45 2
            45   39  46 1
            46   42  47 1
            47   42  48 1
            48    9  11 2
            49   26  28 1
            50   41  45 1
            51   44  47 2

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