KEGG   COMPOUND: C12037Help
Entry
C12037                      Compound                               

Name
Pyochelin
Formula
C14H16N2O3S2
Exact mass
324.0602
Mol weight
324.4184
Structure
Mol fileKCF fileDB search
Sequence
0 Sal  1 Cys  2 Cys
  Gene
0-1 pchD [pae:PA4228] pchE [pae:PA4226]; 2 pchF [pae:PA4225] pchG
[pae:PA4224]
  Organism
Pseudomonas aeruginosa [GN:pae]
  Type
NRP
Pathway
map01053  Biosynthesis of siderophore group nonribosomal peptides
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 69772-54-9
PubChem: 14192
ChEBI: 29669
ChEMBL: CHEMBL3099904
PDB-CCD: 488[PDBj]
NIKKAJI: J1.291.250A
LinkDB All DBs
KCF data Show

ATOM        21
            1   C6a C    32.6498  -21.3092
            2   O6a O    33.8621  -20.6094
            3   C1y C    31.4377  -20.6094
            4   O6a O    32.6498  -22.7090
            5   C1y C    27.8822  -19.8988
            6   C1y C    29.2820  -19.8988
            7   N1y N    30.1064  -21.0420
            8   C1x C    31.4374  -19.2098
            9   S2x S    30.1064  -18.7771
            10  N2x N    27.0577  -18.7556
            11  C2y C    25.7263  -19.1881
            12  S2x S    25.7266  -20.5878
            13  C1x C    27.0577  -21.0205
            14  C8x C    22.0906  -17.0893
            15  C8x C    22.0906  -18.4891
            16  C8x C    23.3057  -19.1889
            17  C8y C    24.5137  -18.4891
            18  C8y C    24.5137  -17.0893
            19  C8x C    23.3057  -16.3894
            20  C1a C    30.0930  -22.4409
            21  O1a O    25.7265  -16.3903
BOND        23
            1    12  13 1
            2     5  13 1
            3     6   7 1
            4     7   3 1
            5     3   8 1
            6     8   9 1
            7     9   6 1
            8    14  15 2
            9    15  16 1
            10   16  17 2
            11   17  18 1
            12   18  19 2
            13   19  14 1
            14   17  11 1
            15    3   1 1
            16    5   6 1
            17    1   2 1
            18   10   5 1
            19    1   4 2
            20    7  20 1
            21   10  11 2
            22   18  21 1
            23   11  12 1

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