KEGG   COMPOUND: C00100Help
Entry
C00100                      Compound                               

Name
Propanoyl-CoA;
Propionyl-CoA;
Propionyl coenzyme A
Formula
C24H40N7O17P3S
Exact mass
823.1414
Mol weight
823.5974
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Valine, leucine and isoleucine degradation
beta-Alanine metabolism
Biosynthesis of 12-, 14- and 16-membered macrolides
Glycerolipid metabolism
Xylene degradation
Glyoxylate and dicarboxylate metabolism
Propanoate metabolism
C5-Branched dibasic acid metabolism
Carbon fixation pathways in prokaryotes
Biosynthesis of type II polyketide backbone
Metabolic pathways
Biosynthesis of secondary metabolites
Microbial metabolism in diverse environments
Carbon metabolism
Degradation of aromatic compounds
Module
M00013  
Malonate semialdehyde pathway, propanoyl-CoA => Acetyl-CoA
M00373  
Ethylmalonyl pathway
M00375  
Hydroxypropionate-hydroxybutylate cycle
M00376  
3-Hydroxypropionate bi-cycle
M00569  
Catechol meta-cleavage, catechol => acetyl-CoA / 4-methylcatechol => propanoyl-CoA
Enzyme
1.2.1.27        1.2.1.87        1.2.7.1         1.3.1.84        
1.3.1.95        1.3.8.7         2.1.3.1         2.3.1.8         
2.3.1.9         2.3.1.16        2.3.1.54        2.3.1.94        
2.3.1.154       2.3.1.176       2.3.1.222       2.3.1.-         
2.3.3.5         2.3.3.11        2.8.3.1         4.1.1.9         
4.1.1.41        4.1.3.24        6.2.1.1         6.2.1.13        
6.2.1.17        6.4.1.3
Other DBs
CAS: 
317-66-8
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        52
            1   C1b C     7.3724  -19.8800
            2   C5a C     8.5849  -19.1800
            3   S2a S     9.7973  -19.8800
            4   C1b C    11.0097  -19.1800
            5   C1b C    12.2222  -19.8800
            6   N1b N    13.4346  -19.1800
            7   C5a C    14.6470  -19.8800
            8   C1b C    15.8595  -19.1800
            9   C1b C    17.0719  -19.8800
            10  N1b N    18.2844  -19.1800
            11  C5a C    19.4968  -19.8800
            12  C1c C    20.7092  -19.1800
            13  C1d C    21.9217  -19.8800
            14  C1b C    23.1341  -19.1800
            15  O2b O    24.3465  -19.8800
            16  O5a O     8.5849  -17.7802
            17  O5a O    14.6470  -21.2799
            18  O5a O    19.4968  -21.2796
            19  O1a O    20.7092  -17.7800
            20  C1a C    21.9217  -18.4800
            21  C1a C    21.9217  -21.2800
            22  P1b P    25.7465  -19.8800
            23  O1c O    27.1465  -19.8800
            24  O1c O    25.7465  -21.2800
            25  C1y C    19.2500  -14.9100
            26  C1y C    20.6500  -14.9100
            27  C1y C    21.0826  -13.5785
            28  O2x O    19.9500  -12.7556
            29  C1y C    18.8174  -13.5785
            30  C1b C    22.4022  -13.1497
            31  O1a O    18.4271  -16.0426
            32  O2b O    21.4729  -16.0426
            33  P1b P    22.8729  -16.0426
            34  O1c O    22.8729  -14.6426
            35  O1c O    24.2729  -16.0426
            36  O1c O    22.8729  -17.4426
            37  C8y C    14.7000  -11.7600
            38  C8y C    14.7000  -13.1600
            39  N4y N    17.1249  -13.1600
            40  C8x C    17.1249  -11.7600
            41  N5x N    15.9124  -11.0600
            42  C8y C    13.4876  -11.0600
            43  N5x N    12.2751  -11.7600
            44  C8x C    12.2751  -13.1600
            45  N5x N    13.4876  -13.8600
            46  N1a N    13.4876   -9.6602
            47  O2b O    24.3845  -13.5820
            48  P1b P    25.7845  -13.5820
            49  O1c O    25.7845  -12.1820
            50  O1c O    27.1845  -13.5820
            51  O2c O    25.7845  -16.8020
            52  C1a C     6.1433  -19.1702
BOND        54
            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

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