KEGG   COMPOUND: C12112Help
Entry
C12112                      Compound                               

Name
Validamycin A;
Validacin;
Validamycin;
Valimon
Formula
C20H35NO13
Exact mass
497.2108
Mol weight
497.4908
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00525  Acarbose and validamycin biosynthesis
map01130  Biosynthesis of antibiotics
Module
M00815  Validamycin A biosynthesis, sedoheptulopyranose-7P => validamycin A
Enzyme
1.14.11.52      2.4.1.338
Brite
Pesticides [BR:br08007]
 Pesticides
  Fungicides
   Antibiotic fungicides
    C12112  Validamycin A
BRITE hierarchy
Other DBs
CAS: 37248-47-8
PubChem: 14259
ChEBI: 29703
ChEMBL: CHEMBL1923413
KNApSAcK: C00018797
NIKKAJI: J108.001F
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1y C    17.3843  -16.8854
            2   C1y C    17.3843  -18.2869
            3   C1y C    18.5979  -18.9877
            4   C1y C    19.8118  -18.2869
            5   C2x C    19.8118  -16.8854
            6   C2y C    18.5979  -16.1847
            7   C1b C    18.5979  -14.7834
            8   O1a O    19.7949  -14.0923
            9   O1a O    16.1705  -18.9877
            10  O1a O    18.5979  -20.3890
            11  O1a O    16.1705  -16.1847
            12  N1b N    21.0442  -18.9987
            13  C1y C    22.2517  -18.3016
            14  C1y C    23.4378  -18.9865
            15  C1y C    24.6518  -18.2858
            16  C1y C    24.6519  -16.8842
            17  C1y C    23.4659  -16.1993
            18  C1x C    22.2519  -16.8999
            19  C1b C    23.4659  -14.7848
            20  O2a O    25.8816  -16.1741
            21  O1a O    23.4377  -20.3809
            22  O1a O    25.8677  -18.9881
            23  O1a O    24.6842  -14.0814
            24  C1y C    27.0941  -15.4741
            25  C1y C    28.3017  -16.1713
            26  C1y C    29.5141  -15.4713
            27  C1y C    29.5141  -14.0713
            28  C1y C    28.3065  -13.3741
            29  O2x O    27.0941  -14.0741
            30  C1b C    28.3066  -11.9703
            31  O1a O    30.7452  -16.1824
            32  O1a O    28.3016  -17.5698
            33  O1a O    30.7464  -13.3596
            34  O1a O    29.4991  -11.2816
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   9 1 #Up
            10    3  10 1 #Down
            11    1  11 1 #Down
            12    4  12 1 #Down
            13   13  12 1 #Up
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   17  19 1 #Down
            21   16  20 1 #Up
            22   14  21 1 #Up
            23   15  22 1 #Down
            24   19  23 1
            25   24  20 1 #Down
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   24  29 1
            32   28  30 1 #Down
            33   26  31 1 #Down
            34   25  32 1 #Up
            35   27  33 1 #Up
            36   30  34 1

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