KEGG   COMPOUND: C12383Help
Entry
C12383                      Compound                               

Name
Premithramycinone
Formula
C21H18O9
Exact mass
414.0951
Mol weight
414.3622
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
2.1.1.-         2.4.1.-
Other DBs
PubChem: 582773
ChEBI: 32051
3DMET: B04468
NIKKAJI: J950.689F
LinkDB All DBs
KCF data Show

ATOM        30
            1   O1a O    33.3558  -18.6686
            2   C1x C    28.6205  -18.6686
            3   C8y C    22.7024  -19.3302
            4   C8x C    23.8885  -18.6565
            5   C8y C    25.0749  -19.3397
            6   C8x C    26.2514  -18.6658
            7   C8y C    27.4378  -19.3397
            8   C8x C    22.7079  -20.6955
            9   C1y C    29.8100  -19.3491
            10  C1y C    30.9963  -18.6754
            11  C2y C    32.1029  -19.3491
            12  C8y C    23.8885  -21.3881
            13  C8y C    25.0653  -20.7049
            14  C8y C    26.2421  -21.3977
            15  C8y C    27.4282  -20.7144
            16  C5x C    28.6143  -21.3977
            17  C1z C    29.8007  -20.7240
            18  C5x C    30.9868  -21.4072
            19  C2y C    32.1635  -20.7240
            20  C5a C    33.3496  -21.4166
            21  C1a C    34.5358  -20.7333
            22  O1a O    23.8792  -22.7546
            23  O1a O    26.2421  -22.7641
            24  O5x O    28.6050  -22.7737
            25  O5x O    30.9772  -22.7737
            26  O5a O    33.3401  -22.7830
            27  O1a O    21.5068  -18.6565
            28  O1a O    29.7911  -22.1094
            29  O2a O    30.9868  -17.2900
            30  C1a C    32.1806  -16.5842
BOND        33
            1    15  16 1
            2     2   9 1
            3    16  17 1
            4     5   6 1
            5    17  18 1
            6     9  10 1
            7    18  19 1
            8    19  20 1
            9    10  11 1
            10   20  21 1
            11   11   1 1
            12   12  22 1
            13    6   7 2
            14   14  23 1
            15    8  12 1
            16   16  24 2
            17    7   2 1
            18   18  25 2
            19   12  13 2
            20   20  26 2
            21    4   5 2
            22    3  27 1
            23    5  13 1
            24    7  15 1
            25    9  17 1
            26   11  19 2
            27   13  14 1
            28    3   8 2
            29   17  28 1 #Down
            30   14  15 2
            31   10  29 1 #Down
            32    3   4 1
            33   29  30 1

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