KEGG   COMPOUND: C12385Help
Entry
C12385                      Compound                               

Name
Premithramycin A2'
Formula
C33H38O15
Exact mass
674.2211
Mol weight
674.6458
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00782  Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin
Enzyme
2.4.1.-
Other DBs
PubChem: 582775
ChEBI: 32047
3DMET: B04470
NIKKAJI: J2.783.302K
KCF data Show

ATOM        48
            1   C1y C    21.0038  -23.0471
            2   C1y C    21.0038  -21.6818
            3   O2x O    22.1880  -20.9991
            4   C1y C    23.3530  -21.6818
            5   C1x C    23.3530  -23.0471
            6   C1y C    22.1880  -23.7204
            7   O2a O    24.5331  -21.0066
            8   C1a C    19.8344  -21.0046
            9   O1a O    19.8365  -23.7281
            10  O1a O    22.1903  -25.0761
            11  C1y C    23.3467  -18.9776
            12  C1y C    23.3467  -17.6218
            13  O2x O    24.5308  -16.9392
            14  C1y C    25.7054  -17.6218
            15  C1x C    25.7054  -18.9776
            16  C1y C    24.5308  -19.6509
            17  O2a O    26.8760  -16.9465
            18  C1a C    22.1773  -16.9444
            19  O1a O    22.1793  -19.6584
            20  O1a O    30.3711  -11.6660
            21  C1x C    25.7444  -11.6660
            22  C8y C    19.9357  -12.3175
            23  C8x C    21.1019  -11.6537
            24  C8y C    22.2681  -12.3270
            25  C8x C    23.4154  -11.6633
            26  C8y C    24.5816  -12.3270
            27  C8x C    19.9412  -13.7134
            28  C1y C    26.8948  -12.3364
            29  C1y C    28.0610  -11.6728
            30  C2y C    29.2179  -12.3364
            31  C8y C    21.1019  -14.3865
            32  C8y C    22.2585  -13.7230
            33  C8y C    23.4058  -14.3961
            34  C8y C    24.5720  -13.7323
            35  C5x C    25.7382  -14.3961
            36  C1z C    26.8855  -13.7419
            37  C5x C    28.0517  -14.4056
            38  C2y C    29.2083  -13.7419
            39  C5a C    30.3650  -14.4150
            40  C1a C    31.5312  -13.7514
            41  O1a O    21.0923  -15.7329
            42  O1a O    23.4058  -15.7425
            43  O5x O    25.7287  -15.7518
            44  O5x O    28.0422  -15.7518
            45  O5a O    30.3557  -15.7614
            46  O1a O    18.7791  -11.6537
            47  O2a O    28.0517  -10.3169
            48  C1a C    29.2254   -9.6212
BOND        53
            1     4   7 1 #Up
            2    25  26 2
            3    26  21 1
            4     1   2 1
            5    22  27 2
            6    11  12 1
            7    21  28 1
            8    12  13 1
            9    28  29 1
            10   13  14 1
            11   29  30 1
            12   30  20 1
            13   14  15 1
            14   27  31 1
            15   15  16 1
            16   31  32 2
            17   16  11 1
            18   32  33 1
            19    2   8 1 #Up
            20   33  34 2
            21   14  17 1 #Up
            22   34  35 1
            23    2   3 1
            24   35  36 1
            25   12  18 1 #Up
            26   36  37 1
            27    1   9 1 #Up
            28   37  38 1
            29   11  19 1 #Down
            30   38  39 1
            31   16   7 1 #Up
            32   39  40 1
            33    3   4 1
            34   31  41 1
            35    6  10 1 #Up
            36   33  42 1
            37    4   5 1
            38   35  43 2
            39    5   6 1
            40   37  44 2
            41   22  23 1
            42   39  45 2
            43    6   1 1
            44   22  46 1
            45   24  32 1
            46   26  34 1
            47   28  36 1
            48   30  38 2
            49   23  24 2
            50   36  17 1 #Down
            51   29  47 1 #Down
            52   24  25 1
            53   47  48 1

» Japanese version

DBGET integrated database retrieval system