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
map01100  Metabolic pathways
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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