KEGG   COMPOUND: C00024
Entry
C00024                      Compound                               
Name
Acetyl-CoA;
Acetyl coenzyme A
Formula
C23H38N7O17P3S
Exact mass
809.1258
Mol weight
809.5708
Structure
Reaction
R00209 R00210 R00211 R00212 R00227 R00228 R00229 R00230
R00233 R00235 R00236 R00237 R00238 R00259 R00271 R00351
R00352 R00353 R00354 R00371 R00391 R00393 R00399 R00454
R00472 R00473 R00487 R00586 R00627 R00693 R00705 R00706
R00742 R00743 R00829 R00927 R00928 R00998 R01023 R01089
R01154 R01160 R01177 R01179 R01196 R01204 R01213 R01323
R01359 R01360 R01556 R01624 R01776 R01806 R01807 R01808
R01850 R01889 R01978 R02058 R02152 R02191 R02232 R02387
R02396 R02481 R02569 R02616 R02772 R02837 R02911 R02955
R03017 R03056 R03064 R03065 R03153 R03168 R03230 R03437
 » show all
Pathway
map00010  Glycolysis / Gluconeogenesis
map00020  Citrate cycle (TCA cycle)
map00061  Fatty acid biosynthesis
map00062  Fatty acid elongation
map00071  Fatty acid degradation
map00254  Aflatoxin biosynthesis
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine biosynthesis
map00300  Lysine biosynthesis
map00310  Lysine degradation
map00360  Phenylalanine metabolism
map00362  Benzoate degradation
map00380  Tryptophan metabolism
map00410  beta-Alanine metabolism
map00430  Taurine and hypotaurine metabolism
map00480  Glutathione metabolism
map00562  Inositol phosphate metabolism
map00620  Pyruvate metabolism
map00621  Dioxin degradation
map00622  Xylene degradation
map00625  Chloroalkane and chloroalkene degradation
map00630  Glyoxylate and dicarboxylate metabolism
map00640  Propanoate metabolism
map00642  Ethylbenzene degradation
map00650  Butanoate metabolism
map00680  Methane metabolism
map00720  Carbon fixation pathways in prokaryotes
map00900  Terpenoid backbone biosynthesis
map00996  Biosynthesis of various alkaloids
map00997  Biosynthesis of various other secondary metabolites
map00998  Biosynthesis of various antibiotics
map00999  Biosynthesis of various plant secondary metabolites
map01056  Biosynthesis of type II polyketide backbone
map01060  Biosynthesis of plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01062  Biosynthesis of terpenoids and steroids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01064  Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
map01212  Fatty acid metabolism
map01220  Degradation of aromatic compounds
map01240  Biosynthesis of cofactors
map04066  HIF-1 signaling pathway
map04152  AMPK signaling pathway
map04216  Ferroptosis
map04714  Thermogenesis
map04725  Cholinergic synapse
map04922  Glucagon signaling pathway
map04931  Insulin resistance
map04936  Alcoholic liver disease
map04976  Bile secretion
map05230  Central carbon metabolism in cancer
map05415  Diabetic cardiomyopathy
Module
M00009  Citrate cycle (TCA cycle, Krebs cycle)
M00010  Citrate cycle, first carbon oxidation, oxaloacetate => 2-oxoglutarate
M00012  Glyoxylate cycle
M00013  Malonate semialdehyde pathway, propanoyl-CoA => acetyl-CoA
M00030  Lysine biosynthesis, AAA pathway, 2-oxoglutarate => 2-aminoadipate => lysine
M00082  Fatty acid biosynthesis, initiation
M00085  Fatty acid elongation in mitochondria
M00087  beta-Oxidation
M00088  Ketone body biosynthesis, acetyl-CoA => acetoacetate/3-hydroxybutyrate/acetone
M00095  C5 isoprenoid biosynthesis, mevalonate pathway
M00173  Reductive citrate cycle (Arnon-Buchanan cycle)
M00307  Pyruvate oxidation, pyruvate => acetyl-CoA
M00357  Methanogenesis, acetate => methane
M00373  Ethylmalonyl pathway
M00374  Dicarboxylate-hydroxybutyrate cycle
M00375  Hydroxypropionate-hydroxybutylate cycle
M00376  3-Hydroxypropionate bi-cycle
M00377  Reductive acetyl-CoA pathway (Wood-Ljungdahl pathway)
M00422  Acetyl-CoA pathway, CO2 => acetyl-CoA
M00432  Leucine biosynthesis, 2-oxoisovalerate => 2-oxoisocaproate
M00433  Lysine biosynthesis, 2-oxoglutarate => 2-oxoadipate
M00545  Trans-cinnamate degradation, trans-cinnamate => acetyl-CoA
M00569  Catechol meta-cleavage, catechol => acetyl-CoA / 4-methylcatechol => propanoyl-CoA
M00579  Phosphate acetyltransferase-acetate kinase pathway, acetyl-CoA => acetate
M00608  2-Oxocarboxylic acid chain extension, 2-oxoglutarate => 2-oxoadipate => 2-oxopimelate => 2-oxosuberate
M00620  Incomplete reductive citrate cycle, acetyl-CoA => oxoglutarate
M00740  Methylaspartate cycle
M00849  C5 isoprenoid biosynthesis, mevalonate pathway, archaea
M00878  Phenylacetate degradation, phenylaxetate => acetyl-CoA/succinyl-CoA
Enzyme
1.1.1.-         1.2.1.10        1.2.1.18        1.2.1.27        
1.2.1.51        1.2.1.104       1.2.3.6         1.2.7.1         
1.2.7.4         1.2.7.11        1.2.7.-         2.1.1.258       
2.1.3.1         2.1.3.15        2.3.1.1         2.3.1.2         
2.3.1.3         2.3.1.4         2.3.1.5         2.3.1.6         
2.3.1.7         2.3.1.8         2.3.1.9         2.3.1.10        
2.3.1.11        2.3.1.12        2.3.1.16        2.3.1.17        
2.3.1.18        2.3.1.27        2.3.1.28        2.3.1.29        
2.3.1.30        2.3.1.31        2.3.1.33        2.3.1.34        
2.3.1.36        2.3.1.38        2.3.1.44        2.3.1.45        
2.3.1.48        2.3.1.53        2.3.1.54        2.3.1.57        
2.3.1.59        2.3.1.60        2.3.1.66        2.3.1.67        
2.3.1.69        2.3.1.78        2.3.1.79        2.3.1.80        
2.3.1.81        2.3.1.82        2.3.1.84        2.3.1.85        
2.3.1.86        2.3.1.87        2.3.1.89        2.3.1.102       
2.3.1.105       2.3.1.107       2.3.1.108       2.3.1.118       
2.3.1.136       2.3.1.150       2.3.1.155       2.3.1.157       
2.3.1.160       2.3.1.162       2.3.1.163       2.3.1.165       
2.3.1.167       2.3.1.169       2.3.1.174       2.3.1.175       
2.3.1.176       2.3.1.178       2.3.1.180       2.3.1.183       
2.3.1.185       2.3.1.186       2.3.1.189       2.3.1.190       
2.3.1.194       2.3.1.195       2.3.1.197       2.3.1.201       
2.3.1.202       2.3.1.203       2.3.1.205       2.3.1.209       
2.3.1.210       2.3.1.223       2.3.1.224       2.3.1.227       
2.3.1.236       2.3.1.237       2.3.1.245       2.3.1.247       
2.3.1.263       2.3.1.264       2.3.1.266       2.3.1.267       
2.3.1.268       2.3.1.271       2.3.1.276       2.3.1.280       
2.3.1.285       2.3.1.303       2.3.1.306       2.3.1.307       
2.3.1.308       2.3.1.-         2.3.3.1         2.3.3.3         
2.3.3.6         2.3.3.8         2.3.3.9         2.3.3.10        
2.3.3.13        2.3.3.14        2.3.3.16        2.3.3.17        
2.3.3.18        2.3.3.19        2.3.3.21        2.3.3.-         
2.3.-.-         2.6.1.33        2.8.3.1         2.8.3.3         
2.8.3.8         2.8.3.10        2.8.3.11        2.8.3.12        
2.8.3.14        2.8.3.18        2.8.3.19        2.8.3.-         
3.1.2.1         4.1.1.9         4.1.2.61        4.1.3.4         
4.1.3.24        4.1.3.25        4.1.3.34        4.1.3.35        
4.1.3.46        4.1.3.-         6.2.1.1         6.2.1.13        
6.4.1.2
 » show all
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C00024  Acetyl-CoA
Other DBs
CAS: 72-89-9
PubChem: 3326
ChEBI: 15351
LIPIDMAPS: LMFA07050281
KNApSAcK: C00007259
PDB-CCD: ACO[PDBj]
3DMET: B04621
NIKKAJI: J192.549K
LinkDB
KCF data

ATOM        51
            1   C1a C     8.7724  -20.5800
            2   C5a C     9.9849  -19.8800
            3   S2a S    11.1973  -20.5800
            4   C1b C    12.4097  -19.8800
            5   C1b C    13.6222  -20.5800
            6   N1b N    14.8346  -19.8800
            7   C5a C    16.0470  -20.5800
            8   C1b C    17.2595  -19.8800
            9   C1b C    18.4719  -20.5800
            10  N1b N    19.6844  -19.8800
            11  C5a C    20.8968  -20.5800
            12  C1c C    22.1092  -19.8800
            13  C1d C    23.3217  -20.5800
            14  C1b C    24.5341  -19.8800
            15  O2b O    25.7465  -20.5800
            16  O5a O     9.9849  -18.4802
            17  O5a O    16.0470  -21.9799
            18  O5a O    20.8968  -21.9796
            19  O1a O    22.1092  -18.4800
            20  C1a C    23.3217  -19.1800
            21  C1a C    23.3217  -21.9800
            22  P1b P    27.1465  -20.5800
            23  O1c O    28.5465  -20.5800
            24  O1c O    27.1465  -21.9800
            25  C1y C    20.6500  -15.6100
            26  C1y C    22.0500  -15.6100
            27  C1y C    22.4826  -14.2785
            28  O2x O    21.3500  -13.4556
            29  C1y C    20.2174  -14.2785
            30  C1b C    23.8022  -13.8497
            31  O1a O    19.8271  -16.7426
            32  O2b O    22.8729  -16.7426
            33  P1b P    24.2729  -16.7426
            34  O1c O    24.2729  -15.3426
            35  O1c O    25.6729  -16.7426
            36  O1c O    24.2729  -18.1426
            37  C8y C    16.1000  -12.4600
            38  C8y C    16.1000  -13.8600
            39  N4y N    18.5249  -13.8600
            40  C8x C    18.5249  -12.4600
            41  N5x N    17.3124  -11.7600
            42  C8y C    14.8876  -11.7600
            43  N5x N    13.6751  -12.4600
            44  C8x C    13.6751  -13.8600
            45  N5x N    14.8876  -14.5600
            46  N1a N    14.8876  -10.3602
            47  O2b O    25.7845  -14.2820
            48  P1b P    27.1845  -14.2820
            49  O1c O    27.1845  -12.8820
            50  O1c O    28.5845  -14.2820
            51  O2c O    27.1845  -17.5020
BOND        53
            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

» Japanese version

KEGG   COMPOUND: C00083
Entry
C00083                      Compound                               
Name
Malonyl-CoA;
Malonyl coenzyme A
Formula
C24H38N7O19P3S
Exact mass
853.1156
Mol weight
853.5803
Structure
Reaction
Pathway
map00061  Fatty acid biosynthesis
map00062  Fatty acid elongation
map00253  Tetracycline biosynthesis
map00254  Aflatoxin biosynthesis
map00332  Carbapenem biosynthesis
map00333  Prodigiosin biosynthesis
map00410  beta-Alanine metabolism
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
map00620  Pyruvate metabolism
map00640  Propanoate metabolism
map00720  Carbon fixation pathways in prokaryotes
map00996  Biosynthesis of various alkaloids
map00997  Biosynthesis of various other secondary metabolites
map00999  Biosynthesis of various plant secondary metabolites
map01055  Biosynthesis of vancomycin group antibiotics
map01056  Biosynthesis of type II polyketide backbone
map01059  Biosynthesis of enediyne antibiotics
map01060  Biosynthesis of plant secondary metabolites
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
map01212  Fatty acid metabolism
map01240  Biosynthesis of cofactors
map04152  AMPK signaling pathway
map04920  Adipocytokine signaling pathway
map04922  Glucagon signaling pathway
map04931  Insulin resistance
map04936  Alcoholic liver disease
Module
M00082  Fatty acid biosynthesis, initiation
M00375  Hydroxypropionate-hydroxybutylate cycle
M00376  3-Hydroxypropionate bi-cycle
M00675  Carbapenem-3-carboxylate biosynthesis, pyrroline-5-carboxylate + malonyl-CoA => carbapenem-3-carboxylate
M00773  Tylosin biosynthesis, methylmalonyl-CoA + malonyl-CoA => tylactone => tylosin
M00775  Oleandomycin biosynthesis, malonyl-CoA + methylmalonyl-CoA => 8,8a-deoxyoleandolide => oleandomycin
M00776  Pikromycin/methymycin biosynthesis, methylmalonyl-CoA + malonyl-CoA => narbonolide/10-deoxymethynolide => pikromycin/methymycin
M00778  Type II polyketide backbone biosynthesis, acyl-CoA + malonyl-CoA => polyketide
M00829  3,6-Dimethylsalicylyl-CoA biosynthesis, malonyl-CoA => 6-methylsalicylate => 3,6-dimethylsalicylyl-CoA
M00830  Neocarzinostatin naphthoate moiety biosynthesis, malonyl-CoA => 2-hydroxy-5-methyl-1-naphthoate => 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA
M00833  Calicheamicin biosynthesis, calicheamicinone => calicheamicin
M00834  Calicheamicin orsellinate moiety biosynthesis, malonyl-CoA => orsellinate-ACP => 5-iodo-2,3-dimethoxyorsellinate-ACP
M00893  Lovastatin biosynthesis, malonyl-CoA => lovastatin acid
M00894  Cannabidiol biosynthesis, malonyl-CoA => cannabidiol/dronabinol
M00934  Mycinamicin biosynthesis, malonyl-CoA + methylmalonyl-CoA => protomycinolide IV => mycinamicin II
M00937  Aflatoxin biosynthesis, malonyl-CoA => aflatoxin B1
Enzyme
1.2.1.75        2.1.3.1         2.1.3.15        2.3.1.39        
2.3.1.74        2.3.1.85        2.3.1.86        2.3.1.95        
2.3.1.112       2.3.1.113       2.3.1.114       2.3.1.115       
2.3.1.116       2.3.1.146       2.3.1.151       2.3.1.156       
2.3.1.159       2.3.1.161       2.3.1.165       2.3.1.170       
2.3.1.171       2.3.1.172       2.3.1.177       2.3.1.194       
2.3.1.199       2.3.1.206       2.3.1.208       2.3.1.211       
2.3.1.212       2.3.1.214       2.3.1.216       2.3.1.218       
2.3.1.220       2.3.1.221       2.3.1.226       2.3.1.233       
2.3.1.235       2.3.1.236       2.3.1.237       2.3.1.239       
2.3.1.240       2.3.1.244       2.3.1.246       2.3.1.253       
2.3.1.260       2.3.1.261       2.3.1.262       2.3.1.281       
2.3.1.289       2.3.1.290       2.3.1.-         2.8.3.3         
4.1.1.9         6.2.1.-         6.3.5.-         6.4.1.2
 » show all
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C00083  Malonyl-CoA
Other DBs
CAS: 524-14-1
PubChem: 3383
ChEBI: 15531
LIPIDMAPS: LMFA07050345
KNApSAcK: C00007260
PDB-CCD: MLC[PDBj]
3DMET: B04627
NIKKAJI: J203.864A
LinkDB
KCF data

ATOM        54
            1   C1b C    15.3524  -20.7200
            2   C5a C    16.5649  -20.0200
            3   S2a S    17.7773  -20.7200
            4   C1b C    18.9897  -20.0200
            5   C1b C    20.2022  -20.7200
            6   N1b N    21.4146  -20.0200
            7   C5a C    22.6270  -20.7200
            8   C1b C    23.8395  -20.0200
            9   C1b C    25.0519  -20.7200
            10  N1b N    26.2644  -20.0200
            11  C5a C    27.4768  -20.7200
            12  C1c C    28.6892  -20.0200
            13  C1d C    29.9017  -20.7200
            14  C1b C    31.1141  -20.0200
            15  O2b O    32.3265  -20.7200
            16  O5a O    16.5649  -18.6202
            17  O5a O    22.6270  -22.1199
            18  O5a O    27.4768  -22.1196
            19  O1a O    28.6892  -18.6200
            20  C1a C    29.9017  -19.3200
            21  C1a C    29.9017  -22.1200
            22  P1b P    33.7265  -20.7200
            23  O1c O    35.1265  -20.7200
            24  O1c O    33.7265  -22.1200
            25  C1y C    27.2300  -15.7500
            26  C1y C    28.6300  -15.7500
            27  C1y C    29.0626  -14.4185
            28  O2x O    27.9300  -13.5956
            29  C1y C    26.7974  -14.4185
            30  C1b C    30.3822  -13.9897
            31  O1a O    26.4071  -16.8826
            32  O2b O    29.4529  -16.8826
            33  P1b P    30.8529  -16.8826
            34  O1c O    30.8529  -15.4826
            35  O1c O    32.2529  -16.8826
            36  O1c O    30.8529  -18.2826
            37  C8y C    22.6800  -12.6000
            38  C8y C    22.6800  -14.0000
            39  N4y N    25.1049  -14.0000
            40  C8x C    25.1049  -12.6000
            41  N5x N    23.8924  -11.9000
            42  C8y C    21.4676  -11.9000
            43  N5x N    20.2551  -12.6000
            44  C8x C    20.2551  -14.0000
            45  N5x N    21.4676  -14.7000
            46  N1a N    21.4676  -10.5002
            47  O2b O    32.3645  -14.4220
            48  P1b P    33.7645  -14.4220
            49  O1c O    33.7645  -13.0220
            50  O1c O    35.1645  -14.4220
            51  O2c O    33.7645  -17.6420
            52  C6a C    14.1233  -20.0102
            53  O6a O    12.9192  -20.7053
            54  O6a O    14.1235  -18.6201
BOND        56
            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

» Japanese version

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
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
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
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

» Japanese version

KEGG   COMPOUND: C00136
Entry
C00136                      Compound                               
Name
Butanoyl-CoA;
Butyryl-CoA
Formula
C25H42N7O17P3S
Exact mass
837.1571
Mol weight
837.624
Structure
Reaction
Pathway
map00062  Fatty acid elongation
map00071  Fatty acid degradation
map00310  Lysine degradation
map00630  Glyoxylate and dicarboxylate metabolism
map00650  Butanoate metabolism
map01056  Biosynthesis of type II polyketide backbone
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
map01212  Fatty acid metabolism
Module
M00085  Fatty acid elongation in mitochondria
M00087  beta-Oxidation
Enzyme
1.2.1.10        1.2.1.57        1.2.1.87        1.3.1.44        
1.3.1.86        1.3.1.109       1.3.3.6         1.3.8.1         
1.3.8.7         1.3.99.-        2.3.1.9         2.3.1.16        
2.3.1.19        2.3.1.-         2.3.3.7         2.8.3.8         
2.8.3.9         4.1.1.94        5.4.99.13       6.2.1.2         
6.4.1.3
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C00136  Butanoyl-CoA
Other DBs
PubChem: 3436
ChEBI: 15517
LIPIDMAPS: LMFA07050292
PDB-CCD: BCO[PDBj]
3DMET: B04638
NIKKAJI: J363.721B
LinkDB
KCF data

ATOM        53
            1   C1b C     9.0524  -18.4800
            2   C5a C    10.2649  -17.7800
            3   S2a S    11.4773  -18.4800
            4   C1b C    12.6897  -17.7800
            5   C1b C    13.9022  -18.4800
            6   N1b N    15.1146  -17.7800
            7   C5a C    16.3270  -18.4800
            8   C1b C    17.5395  -17.7800
            9   C1b C    18.7519  -18.4800
            10  N1b N    19.9644  -17.7800
            11  C5a C    21.1768  -18.4800
            12  C1c C    22.3892  -17.7800
            13  C1d C    23.6017  -18.4800
            14  C1b C    24.8141  -17.7800
            15  O2b O    26.0265  -18.4800
            16  O5a O    10.2649  -16.3802
            17  O5a O    16.3270  -19.8799
            18  O5a O    21.1768  -19.8796
            19  O1a O    22.3892  -16.3800
            20  C1a C    23.6017  -17.0800
            21  C1a C    23.6017  -19.8800
            22  P1b P    27.4265  -18.4800
            23  O1c O    28.8265  -18.4800
            24  O1c O    27.4265  -19.8800
            25  C1y C    20.9300  -13.5100
            26  C1y C    22.3300  -13.5100
            27  C1y C    22.7626  -12.1785
            28  O2x O    21.6300  -11.3556
            29  C1y C    20.4974  -12.1785
            30  C1b C    24.0822  -11.7497
            31  O1a O    20.1071  -14.6426
            32  O2b O    23.1529  -14.6426
            33  P1b P    24.5529  -14.6426
            34  O1c O    24.5529  -13.2426
            35  O1c O    25.9529  -14.6426
            36  O1c O    24.5529  -16.0426
            37  C8y C    16.3800  -10.3600
            38  C8y C    16.3800  -11.7600
            39  N4y N    18.8049  -11.7600
            40  C8x C    18.8049  -10.3600
            41  N5x N    17.5924   -9.6600
            42  C8y C    15.1676   -9.6600
            43  N5x N    13.9551  -10.3600
            44  C8x C    13.9551  -11.7600
            45  N5x N    15.1676  -12.4600
            46  N1a N    15.1676   -8.2602
            47  O2b O    26.0645  -12.1820
            48  P1b P    27.4645  -12.1820
            49  O1c O    27.4645  -10.7820
            50  O1c O    28.8645  -12.1820
            51  O2c O    27.4645  -15.4020
            52  C1b C     7.8233  -17.7702
            53  C1a C     6.6192  -18.4653
BOND        55
            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

» Japanese version

KEGG   COMPOUND: C21430
Entry
C21430                      Compound                               
Name
Malonamoyl-[acyl-carrier protein];
Malonamoyl-[acp]
Formula
C3H4NO2SR
Structure
Comment
Generic compound in reaction hierarchy
R = acyl-carrier protein
Reaction
Pathway
map00253  Tetracycline biosynthesis
map01056  Biosynthesis of type II polyketide backbone
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00778  Type II polyketide backbone biosynthesis, acyl-CoA + malonyl-CoA => polyketide
Enzyme
2.3.1.260       6.3.5.-
Other DBs
PubChem: 329728053
LinkDB
KCF data

ATOM        8
            1   N1a N    10.6400  -14.9800
            2   C5a C    11.8524  -14.2800
            3   C1b C    13.0649  -14.9800
            4   C5a C    14.2773  -14.2800
            5   S2a S    15.4897  -14.9800
            6   O5a O    11.8524  -12.8802
            7   O5a O    14.2773  -12.8800
            8   R   R    16.8897  -14.9800
BOND        7
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 2
            6     4   7 2
            7     5   8 1

» Japanese version

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