KEGG   COMPOUND: C18331Help
Entry
C18331                      Compound                               

Name
7,9,12-Decaketide intermediate 2
Formula
C20H23O10SR
Structure
Mol fileKCF fileDB search
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map01056  Biosynthesis of type II polyketide backbone
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00778  Type II polyketide backbone biosynthesis, acyl-CoA + malonyl-CoA => polyketide
Enzyme
1.1.1.-         4.2.1.-
Other DBs
PubChem: 124489005
ChEBI: 81677
KCF data Show

ATOM        32
            1   C1y C    18.9000  -15.9600
            2   C1x C    18.9000  -17.2900
            3   C5x C    20.0900  -18.0600
            4   C1y C    21.2800  -17.2900
            5   C1z C    21.2800  -15.9600
            6   C1x C    20.0900  -15.2600
            7   C5a C    23.0300  -18.4100
            8   C1b C    24.2200  -17.7100
            9   C5a C    25.3400  -18.4100
            10  C1b C    26.5300  -17.7100
            11  C1b C    22.8900  -14.7000
            12  C5a C    24.0800  -15.4000
            13  C1b C    25.2700  -14.7000
            14  C5a C    26.3900  -15.4000
            15  C1b C    27.5800  -14.7000
            16  C5a C    28.7700  -15.4000
            17  S2a S    29.9600  -14.7000
            18  O5a O    23.0300  -19.7400
            19  O5x O    20.0900  -19.3900
            20  O5a O    25.3400  -19.7400
            21  O5a O    24.0800  -16.5900
            22  O5a O    26.3900  -16.5900
            23  O5a O    28.7700  -16.5900
            24  R   R    31.3600  -14.7000
            25  O1a O    17.6847  -15.2649
            26  O1a O    21.2800  -14.5600
            27  C5a C    27.7481  -18.4001
            28  C1b C    28.9295  -17.7050
            29  C5a C    30.1349  -18.3880
            30  C1a C    31.3061  -17.6991
            31  O5a O    27.6898  -19.8094
            32  O5a O    30.0769  -19.8092
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18    7  18 2
            19    3  19 2
            20    9  20 2
            21   12  21 2
            22   14  22 2
            23   16  23 2
            24   17  24 1
            25    1  25 1
            26    5  26 1
            27   10  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   27  31 2
            32   29  32 2

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