KEGG   COMPOUND: C02557Help
Entry
C02557                      Compound                               

Name
Methylmalonyl-CoA;
Methylmalonyl coenzyme A;
2-Methylmalonyl-CoA
Formula
C25H40N7O19P3S
Exact mass
867.1313
Mol weight
867.6069
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of 12-, 14- and 16-membered macrolides
Biosynthesis of antibiotics
Module
M00773  
Tylosin biosynthesis, methylmalonyl-CoA + malonyl-CoA => tylactone => tylosin
M00775  
Oleandomycin biosynthesis, malonyl-CoA + methylmalonyl-CoA => 8,8a-deoxyoleandolide => oleandomycin
Enzyme
2.3.1.111       4.1.1.9
Other DBs
CAS: 
1264-45-5
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        55
            1   C1c C    29.6324  -38.5000
            2   C5a C    30.8449  -37.8000
            3   S2a S    32.0573  -38.5000
            4   C1b C    33.2697  -37.8000
            5   C1b C    34.4822  -38.5000
            6   N1b N    35.6946  -37.8000
            7   C5a C    36.9070  -38.5000
            8   C1b C    38.1195  -37.8000
            9   C1b C    39.3319  -38.5000
            10  N1b N    40.5444  -37.8000
            11  C5a C    41.7568  -38.5000
            12  C1c C    42.9692  -37.8000
            13  C1d C    44.1817  -38.5000
            14  C1b C    45.3941  -37.8000
            15  O2b O    46.6065  -38.5000
            16  O5a O    30.8449  -36.4002
            17  O5a O    36.9070  -39.8999
            18  O5a O    41.7568  -39.8996
            19  O1a O    42.9692  -36.4000
            20  C1a C    44.1817  -37.1000
            21  C1a C    44.1817  -39.9000
            22  P1b P    48.0065  -38.5000
            23  O1c O    49.4065  -38.5000
            24  O1c O    48.0065  -39.9000
            25  C1y C    41.5100  -33.5300
            26  C1y C    42.9100  -33.5300
            27  C1y C    43.3426  -32.1985
            28  O2x O    42.2100  -31.3756
            29  C1y C    41.0774  -32.1985
            30  C1b C    44.6622  -31.7697
            31  O1a O    40.6871  -34.6626
            32  O2b O    43.7329  -34.6626
            33  P1b P    45.1329  -34.6626
            34  O1c O    45.1329  -33.2626
            35  O1c O    46.5329  -34.6626
            36  O1c O    45.1329  -36.0626
            37  C8y C    36.9600  -30.3800
            38  C8y C    36.9600  -31.7800
            39  N4y N    39.3849  -31.7800
            40  C8x C    39.3849  -30.3800
            41  N5x N    38.1724  -29.6800
            42  C8y C    35.7476  -29.6800
            43  N5x N    34.5351  -30.3800
            44  C8x C    34.5351  -31.7800
            45  N5x N    35.7476  -32.4800
            46  N1a N    35.7476  -28.2802
            47  O2b O    46.6445  -32.2020
            48  P1b P    48.0445  -32.2020
            49  O1c O    48.0445  -30.8020
            50  O1c O    49.4445  -32.2020
            51  O2c O    48.0445  -35.4220
            52  C6a C    28.4033  -37.7902
            53  O6a O    27.1992  -38.4853
            54  O6a O    28.4035  -36.4001
            55  C1a C    29.6323  -39.8998
BOND        57
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56   52  54 2
            57    1  55 1

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