KEGG   COMPOUND: C12371
Entry
C12371                      Compound                               
Name
Tetracenomycin A2
Formula
C23H18O8
Exact mass
422.1002
Mol weight
422.38
Structure
Reaction
R06703 R06704 R06714
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00783  Tetracenomycin C/8-demethyltetracenomycin C biosynthesis, tetracenomycin F2 => tetracenomycin C/8-demethyltetracenomycin C
Enzyme
1.14.13.200     2.1.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1312 Other aromatic polyketides
    C12371  Tetracenomycin A2
Other DBs
CAS: 82277-62-1
PubChem: 582761
ChEBI: 32197
NIKKAJI: J248.138C
KCF data

ATOM        31
            1   C8x C    25.7549  -15.8677
            2   C8y C    19.8309  -16.5372
            3   C8x C    21.0144  -15.8650
            4   C8y C    22.1982  -16.5372
            5   C5x C    23.3913  -15.8745
            6   C8y C    24.5748  -16.5467
            7   C8x C    19.8268  -18.0391
            8   C8y C    26.9421  -16.5563
            9   C8x C    28.1352  -15.8745
            10  C8y C    29.3092  -16.5563
            11  C8y C    21.0051  -18.7304
            12  C8y C    22.1886  -18.0486
            13  C5x C    23.3817  -18.7397
            14  C8y C    24.5653  -18.0579
            15  C8y C    25.7490  -18.7492
            16  C8y C    26.9325  -18.0675
            17  C8y C    28.1256  -18.7588
            18  C8y C    29.3092  -18.0675
            19  O1a O    20.9956  -20.1032
            20  O5x O    23.3722  -20.1128
            21  O1a O    25.7490  -20.1223
            22  C1a C    28.1161  -20.1223
            23  O2a O    18.6378  -15.8650
            24  C7a C    30.4972  -18.7515
            25  O7a O    31.6917  -18.0627
            26  O6a O    30.5000  -20.1246
            27  O5x O    23.3817  -14.5014
            28  O2a O    30.4929  -15.8838
            29  C1a C    17.4456  -16.5483
            30  C1a C    32.8857  -18.7529
            31  C1a C    31.7232  -16.6058
BOND        34
            1    15  16 2
            2     4   5 1
            3    16  17 1
            4     8   9 1
            5    17  18 2
            6    11  19 1
            7     9  10 2
            8    13  20 2
            9     5   6 1
            10   15  21 1
            11    7  11 1
            12   17  22 1
            13    6   1 1
            14    2  23 1
            15    4  12 1
            16    6  14 2
            17    8  16 1
            18   10  18 1
            19   11  12 2
            20   18  24 1
            21    3   4 2
            22   24  25 1
            23   12  13 1
            24   24  26 2
            25    2   7 2
            26    5  27 2
            27   13  14 1
            28   10  28 1
            29    2   3 1
            30   23  29 1
            31   14  15 1
            32   25  30 1
            33    1   8 2
            34   28  31 1

» Japanese version

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Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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