KEGG   COMPOUND: C17704Help
Entry
C17704                      Compound                               

Name
Antibiotic JI-20A;
JI-20A
Formula
C19H39N5O9
Exact mass
481.2748
Mol weight
481.5411
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00524  Neomycin, kanamycin and gentamicin biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
2.6.1.-
Other DBs
CAS: 51846-97-0
PubChem: 96024034
ChEBI: 81281
ChEMBL: CHEMBL3245227
PDB-CCD: JIA[PDBj]
NIKKAJI: J87.136B
KCF data Show

ATOM        33
            1   C1x C    21.9523  -20.6819
            2   C1z C    21.9523  -22.0794
            3   C1y C    23.1625  -22.7782
            4   C1y C    24.3728  -22.0794
            5   C1y C    24.3728  -20.6819
            6   O2x O    23.1625  -19.9832
            7   O2a O    25.6017  -19.9722
            8   C1y C    26.8119  -19.2735
            9   C1y C    28.0505  -19.9887
            10  C1x C    29.2608  -19.2901
            11  C1y C    29.2610  -17.8926
            12  C1y C    28.0225  -17.1775
            13  C1y C    26.8121  -17.8760
            14  O1a O    25.6017  -22.7892
            15  C1a C    21.5906  -23.4292
            16  O1a O    20.5548  -22.0794
            17  N1b N    23.1625  -24.1755
            18  C1a C    21.9355  -24.8840
            19  N1a N    28.0503  -21.3805
            20  O1a O    25.6303  -17.1934
            21  N1a N    30.4947  -17.1804
            22  O2a O    28.0227  -15.7909
            23  C1y C    29.2396  -15.0885
            24  O2x O    30.4359  -15.7797
            25  C1y C    31.6463  -15.0812
            26  C1y C    31.6466  -13.6838
            27  C1y C    30.4503  -12.9926
            28  C1y C    29.2399  -13.6910
            29  C1b C    32.8750  -15.7910
            30  N1a N    32.8747  -17.1881
            31  N1a N    28.0160  -12.9839
            32  O1a O    30.4509  -11.6225
            33  O1a O    32.8731  -12.9764
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1 #Down
            8     8   7 1 #Down
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    4  14 1 #Down
            16    2  15 1 #Down
            17    2  16 1 #Up
            18    3  17 1 #Up
            19   17  18 1
            20    9  19 1 #Up
            21   13  20 1 #Up
            22   11  21 1 #Up
            23   12  22 1 #Down
            24   23  22 1 #Down
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   23  28 1
            31   25  29 1 #Up
            32   29  30 1
            33   28  31 1 #Down
            34   27  32 1 #Up
            35   26  33 1 #Down

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