KEGG   COMPOUND: C01213
Entry
C01213                      Compound                               
Name
(R)-Methylmalonyl-CoA;
L-Methylmalonyl-CoA
Formula
C25H40N7O19P3S
Exact mass
867.1313
Mol weight
867.6069
Structure
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
map00630  Glyoxylate and dicarboxylate metabolism
map00640  Propanoate metabolism
map00720  Carbon fixation pathways in prokaryotes
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
map04980  Cobalamin transport and metabolism
Module
M00373  Ethylmalonyl pathway
M00375  Hydroxypropionate-hydroxybutylate cycle
M00376  3-Hydroxypropionate bi-cycle
M00741  Propanoyl-CoA metabolism, propanoyl-CoA => succinyl-CoA
Enzyme
1.2.1.-         5.1.99.1        5.4.99.2        6.2.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C01213  (R)-Methylmalonyl-CoA
Other DBs
PubChem: 4435
ChEBI: 15465
LIPIDMAPS: LMFA07050152
PDB-CCD: MCA[PDBj]
3DMET: B04783
NIKKAJI: J890.616E
LinkDB
KCF data

ATOM        55
            1   C1c C    30.1924  -41.3700
            2   C5a C    31.4049  -40.6700
            3   S2a S    32.6173  -41.3700
            4   C1b C    33.8297  -40.6700
            5   C1b C    35.0422  -41.3700
            6   N1b N    36.2546  -40.6700
            7   C5a C    37.4670  -41.3700
            8   C1b C    38.6795  -40.6700
            9   C1b C    39.8919  -41.3700
            10  N1b N    41.1044  -40.6700
            11  C5a C    42.3168  -41.3700
            12  C1c C    43.5292  -40.6700
            13  C1d C    44.7417  -41.3700
            14  C1b C    45.9541  -40.6700
            15  O2b O    47.1665  -41.3700
            16  O5a O    31.4049  -39.2702
            17  O5a O    37.4670  -42.7699
            18  O5a O    42.3168  -42.7696
            19  O1a O    43.5292  -39.2700
            20  C1a C    44.7417  -39.9700
            21  C1a C    44.7417  -42.7700
            22  P1b P    48.5665  -41.3700
            23  O1c O    49.9665  -41.3700
            24  O1c O    48.5665  -42.7700
            25  C1y C    42.0700  -36.4000
            26  C1y C    43.4700  -36.4000
            27  C1y C    43.9026  -35.0685
            28  O2x O    42.7700  -34.2456
            29  C1y C    41.6374  -35.0685
            30  C1b C    45.2222  -34.6397
            31  O1a O    41.2471  -37.5326
            32  O2b O    44.2929  -37.5326
            33  P1b P    45.6929  -37.5326
            34  O1c O    45.6929  -36.1326
            35  O1c O    47.0929  -37.5326
            36  O1c O    45.6929  -38.9326
            37  C8y C    37.5200  -33.2500
            38  C8y C    37.5200  -34.6500
            39  N4y N    39.9449  -34.6500
            40  C8x C    39.9449  -33.2500
            41  N5x N    38.7324  -32.5500
            42  C8y C    36.3076  -32.5500
            43  N5x N    35.0951  -33.2500
            44  C8x C    35.0951  -34.6500
            45  N5x N    36.3076  -35.3500
            46  N1a N    36.3076  -31.1502
            47  O2b O    47.2045  -35.0720
            48  P1b P    48.6045  -35.0720
            49  O1c O    48.6045  -33.6720
            50  O1c O    50.0045  -35.0720
            51  O2c O    48.6045  -38.2920
            52  C6a C    28.9633  -40.6602
            53  O6a O    27.7592  -41.3553
            54  O6a O    28.9635  -39.2701
            55  C1a C    30.1923  -42.7698
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 #Down

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