KEGG   COMPOUND: C00100
Entry
C00100                      Compound                               
Name
Propanoyl-CoA;
Propionyl-CoA;
Propionyl coenzyme A
Formula
C24H40N7O17P3S
Exact mass
823.1414
Mol weight
823.5974
Structure
Reaction
R00918 R00919 R00920 R00921 R00922 R00923 R00925 R00926
R00927 R00928 R00930 R00931 R00932 R00934 R00935 R01199
R01449 R01859 R03719 R04432 R04546 R04811 R05330 R05373
R06414 R06644 R06987 R09097 R10161 R10974 R10998 R11773
R12356
Pathway
map00280  Valine, leucine and isoleucine degradation
map00410  beta-Alanine metabolism
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
map00622  Xylene degradation
map00630  Glyoxylate and dicarboxylate metabolism
map00640  Propanoate metabolism
map00660  C5-Branched dibasic acid metabolism
map00720  Carbon fixation pathways in prokaryotes
map01056  Biosynthesis of type II polyketide backbone
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
map01210  2-Oxocarboxylic acid metabolism
map01220  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
M00741  Propanoyl-CoA metabolism, propanoyl-CoA => succinyl-CoA
M00774  Erythromycin biosynthesis, propanoyl-CoA + methylmalonyl-CoA => deoxyerythronolide B => erythromycin A/B
Network
nt06024  Valine, leucine and isoleucine degradation
Enzyme
1.2.1.27        1.2.1.87        1.2.7.1         1.3.1.84        
1.3.1.95        1.3.1.-         1.3.3.6         1.3.8.1         
2.1.3.1         2.3.1.8         2.3.1.9         2.3.1.16        
2.3.1.54        2.3.1.94        2.3.1.168       2.3.1.176       
2.3.1.222       2.3.1.-         2.3.3.5         2.3.3.11        
2.8.3.1         2.8.3.27        3.13.1.4        4.1.1.9         
4.1.1.-         4.1.3.24        6.2.1.1         6.2.1.13        
6.2.1.17        6.4.1.3
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C00100  Propanoyl-CoA
Other DBs
CAS: 317-66-8
PubChem: 3400
ChEBI: 15539
LIPIDMAPS: LMFA07050364
PDB-CCD: 1VU[PDBj]
3DMET: B04632
NIKKAJI: J1.695.704F
LinkDB
KCF data

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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