KEGG   COMPOUND: C05821Help
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
Mol fileKCF fileDB search
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
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
CAS: 28384-96-5
PubChem: 8116
ChEBI: 28855
ChEMBL: CHEMBL432995
KNApSAcK: C00000735
PDB-CCD: EB4[PDBj]
NIKKAJI: J17.543I
LinkDB All DBs
KCF data Show

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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