KEGG   COMPOUND: C12354
Entry
C12354                      Compound                               
Name
3,5,7,9,11,13,15,17,19-Nonaoxo-eicosanoyl-[acp]
Formula
C20H21O10SR
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map01056  Biosynthesis of type II polyketide backbone
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00778  Type II polyketide backbone biosynthesis, acyl-CoA + malonyl-CoA => polyketide
Enzyme
2.3.1.235       2.3.1.-         4.2.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0706 Fatty acyl ACPs
    C12354  3,5,7,9,11,13,15,17,19-Nonaoxo-eicosanoyl-[acp]
Other DBs
PubChem: 582744
ChEBI: 31095
LIPIDMAPS: LMFA07060027
LinkDB
KCF data

ATOM        32
            1   S2a S    35.3754  -17.6367
            2   C1b C    30.5293  -17.6367
            3   C1a C    11.1582  -17.6868
            4   C5a C    12.3720  -16.9851
            5   C1b C    13.5765  -17.6772
            6   C5a C    14.7903  -16.9755
            7   O5a O    14.7862  -15.5719
            8   O5a O    12.3679  -15.5815
            9   C1b C    15.9947  -17.6679
            10  C5a C    17.2085  -16.9660
            11  C1b C    18.4226  -17.6679
            12  C5a C    19.6363  -16.9566
            13  C1b C    20.8408  -17.6583
            14  C5a C    22.0450  -16.9566
            15  C1b C    23.2684  -17.6488
            16  O5a O    17.2044  -15.5626
            17  O5a O    19.6323  -15.5626
            18  O5a O    22.0410  -15.5530
            19  C5a C    24.4729  -16.9471
            20  C1b C    25.6867  -17.6488
            21  C5a C    26.8911  -16.9375
            22  C1b C    28.1049  -17.6394
            23  C5a C    29.3189  -16.9375
            24  O5a O    24.4688  -15.5435
            25  O5a O    26.8870  -15.5435
            26  O5a O    29.3148  -15.5341
            27  C5a C    31.7276  -16.9282
            28  C1b C    32.9414  -17.6299
            29  C5a C    34.1459  -16.9282
            30  O5a O    31.7326  -15.5246
            31  O5a O    34.1473  -15.5246
            32  R   R    36.7754  -17.6367
BOND        31
            1     9  10 1
            2    14  18 2
            3    15  19 1
            4    10  11 1
            5    19  20 1
            6     6   7 2
            7    20  21 1
            8    11  12 1
            9    21  22 1
            10    4   5 1
            11   22  23 1
            12   23   2 1
            13   12  13 1
            14   19  24 2
            15    4   8 2
            16   21  25 2
            17   13  14 1
            18   23  26 2
            19    3   4 1
            20    2  27 1
            21   14  15 1
            22   27  28 1
            23    6   9 1
            24   28  29 1
            25   29   1 1
            26   10  16 2
            27   27  30 2
            28    5   6 1
            29   29  31 2
            30   12  17 2
            31    1  32 1

» Japanese version

KEGG   COMPOUND: C12355
Entry
C12355                      Compound                               
Name
3,5,7,9,11,13,15,17,19-Nonaoxo-henicosanoyl-[acp]
Formula
C21H23O10SR
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map01056  Biosynthesis of type II polyketide backbone
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0706 Fatty acyl ACPs
    C12355  3,5,7,9,11,13,15,17,19-Nonaoxo-henicosanoyl-[acp]
Other DBs
PubChem: 582745
ChEBI: 31096
LIPIDMAPS: LMFA07060028
LinkDB
KCF data

ATOM        33
            1   S2a S    35.9472  -17.6383
            2   C1b C    31.1005  -17.6383
            3   C1b C    11.7268  -17.6884
            4   C5a C    12.9408  -16.9866
            5   C1b C    14.1454  -17.6788
            6   C5a C    15.3593  -16.9770
            7   O5a O    15.3552  -15.5732
            8   O5a O    12.9367  -15.5828
            9   C1b C    16.5640  -17.6695
            10  C5a C    17.7779  -16.9675
            11  C1b C    18.9921  -17.6695
            12  C5a C    20.2061  -16.9581
            13  C1b C    21.4107  -17.6599
            14  C5a C    22.6151  -16.9581
            15  C1b C    23.8386  -17.6504
            16  O5a O    17.7738  -15.5639
            17  O5a O    20.2020  -15.5639
            18  O5a O    22.6110  -15.5543
            19  C5a C    25.0432  -16.9486
            20  C1b C    26.2572  -17.6504
            21  C5a C    27.4618  -16.9390
            22  C1b C    28.6758  -17.6410
            23  C5a C    29.8900  -16.9390
            24  O5a O    25.0391  -15.5448
            25  O5a O    27.4577  -15.5448
            26  O5a O    29.8859  -15.5354
            27  C5a C    32.2990  -16.9297
            28  C1b C    33.5129  -17.6315
            29  C5a C    34.7176  -16.9297
            30  O5a O    32.3040  -15.5259
            31  O5a O    34.7189  -15.5259
            32  C1a C    10.5190  -16.9921
            33  R   R    37.3472  -17.6383
BOND        32
            1    14  18 2
            2    15  19 1
            3    10  11 1
            4    19  20 1
            5     6   7 2
            6    20  21 1
            7    11  12 1
            8    21  22 1
            9     4   5 1
            10   22  23 1
            11   23   2 1
            12   12  13 1
            13   19  24 2
            14    4   8 2
            15   21  25 2
            16   13  14 1
            17   23  26 2
            18    3   4 1
            19    2  27 1
            20   14  15 1
            21   27  28 1
            22    6   9 1
            23   28  29 1
            24   29   1 1
            25   10  16 2
            26   27  30 2
            27    5   6 1
            28   29  31 2
            29   12  17 2
            30    9  10 1
            31    3  32 1
            32    1  33 1

» Japanese version

KEGG   COMPOUND: C12356
Entry
C12356                      Compound                               
Name
3,5,7,9,11,13,15,17,19-Nonaoxo-docosanoyl-[acp]
Formula
C22H25O10SR
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map01056  Biosynthesis of type II polyketide backbone
Enzyme
2.3.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0706 Fatty acyl ACPs
    C12356  3,5,7,9,11,13,15,17,19-Nonaoxo-docosanoyl-[acp]
Other DBs
PubChem: 582746
ChEBI: 31094
LIPIDMAPS: LMFA07060029
LinkDB
KCF data

ATOM        34
            1   S2a S    36.5182  -17.6398
            2   C1b C    31.6709  -17.6398
            3   C1b C    12.2947  -17.6898
            4   C5a C    13.5088  -16.9880
            5   C1b C    14.7136  -17.6803
            6   C5a C    15.9277  -16.9784
            7   O5a O    15.9936  -15.5744
            8   O5a O    13.5047  -15.5840
            9   C1b C    17.1325  -17.6710
            10  C5a C    18.3466  -16.9689
            11  C1b C    19.5609  -17.6710
            12  C5a C    20.7751  -16.9595
            13  C1b C    21.9798  -17.6614
            14  C5a C    23.1844  -16.9595
            15  C1b C    24.4081  -17.6518
            16  O5a O    18.3425  -15.5651
            17  O5a O    20.7710  -15.5651
            18  O5a O    23.1803  -15.5555
            19  C5a C    25.6128  -16.9500
            20  C1b C    26.8269  -17.6518
            21  C5a C    28.0317  -16.9404
            22  C1b C    29.2458  -17.6425
            23  C5a C    30.4602  -16.9404
            24  O5a O    25.6087  -15.5460
            25  O5a O    28.0276  -15.5460
            26  O5a O    30.4561  -15.5366
            27  C5a C    32.8695  -16.9311
            28  C1b C    34.0836  -17.6329
            29  C5a C    35.2884  -16.9311
            30  O5a O    32.8745  -15.5271
            31  O5a O    35.2897  -15.5271
            32  C1b C    11.0868  -16.9934
            33  C1a C     9.8795  -17.6912
            34  R   R    37.9182  -17.6398
BOND        33
            1    15  19 1
            2    10  11 1
            3    19  20 1
            4     6   7 2
            5    20  21 1
            6    11  12 1
            7    21  22 1
            8     4   5 1
            9    22  23 1
            10   23   2 1
            11   12  13 1
            12   19  24 2
            13    4   8 2
            14   21  25 2
            15   13  14 1
            16   23  26 2
            17    3   4 1
            18    2  27 1
            19   14  15 1
            20   27  28 1
            21    6   9 1
            22   28  29 1
            23   29   1 1
            24   10  16 2
            25   27  30 2
            26    5   6 1
            27   29  31 2
            28   12  17 2
            29    9  10 1
            30    3  32 1
            31   14  18 2
            32   32  33 1
            33    1  34 1

» Japanese version

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