KEGG   COMPOUND: C01944
Entry
C01944                      Compound                               
Name
Octanoyl-CoA
Formula
C29H50N7O17P3S
Exact mass
893.2197
Mol weight
893.73
Structure
Reaction
R03776 R03777 R03778 R03779 R10172 R10590 R12159 R12430
R12431
Pathway
map00062  Fatty acid elongation
map00071  Fatty acid degradation
map00405  Phenazine biosynthesis
map00785  Lipoic acid metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01212  Fatty acid metabolism
map01240  Biosynthesis of cofactors
Module
M00085  Fatty acid elongation in mitochondria
M00087  beta-Oxidation
M00884  Lipoic acid biosynthesis, octanoyl-CoA => dihydrolipoyl-E2
Enzyme
1.3.1.8         1.3.1.38        1.3.3.6         1.3.8.7         
1.3.8.8         1.3.99.-        2.3.1.16        2.3.1.137       
2.3.1.207       2.3.1.230       2.3.1.273       2.3.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C01944  Octanoyl-CoA
Other DBs
CAS: 1264-52-4
PubChem: 5048
ChEBI: 15533
LIPIDMAPS: LMFA07050355
PDB-CCD: CO8[PDBj]
NIKKAJI: J358.061J
KCF data

ATOM        57
            1   C1b C    31.9424  -26.5300
            2   C5a C    33.1549  -25.8300
            3   S2a S    34.3673  -26.5300
            4   C1b C    35.5797  -25.8300
            5   C1b C    36.7922  -26.5300
            6   N1b N    38.0046  -25.8300
            7   C5a C    39.2170  -26.5300
            8   C1b C    40.4295  -25.8300
            9   C1b C    41.6419  -26.5300
            10  N1b N    42.8544  -25.8300
            11  C5a C    44.0668  -26.5300
            12  C1c C    45.2792  -25.8300
            13  C1d C    46.4917  -26.5300
            14  C1b C    47.7041  -25.8300
            15  O2b O    48.9165  -26.5300
            16  O5a O    33.1549  -24.4302
            17  O5a O    39.2170  -27.9299
            18  O5a O    44.0668  -27.9296
            19  O1a O    45.2792  -24.4300
            20  C1a C    46.4917  -25.1300
            21  C1a C    46.4917  -27.9300
            22  P1b P    50.3165  -26.5300
            23  O1c O    51.7165  -26.5300
            24  O1c O    50.3165  -27.9300
            25  C1y C    43.8200  -21.5600
            26  C1y C    45.2200  -21.5600
            27  C1y C    45.6526  -20.2285
            28  O2x O    44.5200  -19.4056
            29  C1y C    43.3874  -20.2285
            30  C1b C    46.9722  -19.7997
            31  O1a O    42.9971  -22.6926
            32  O2b O    46.0429  -22.6926
            33  P1b P    47.4429  -22.6926
            34  O1c O    47.4429  -21.2926
            35  O1c O    48.8429  -22.6926
            36  O1c O    47.4429  -24.0926
            37  C8y C    39.2700  -18.4100
            38  C8y C    39.2700  -19.8100
            39  N4y N    41.6949  -19.8100
            40  C8x C    41.6949  -18.4100
            41  N5x N    40.4824  -17.7100
            42  C8y C    38.0576  -17.7100
            43  N5x N    36.8451  -18.4100
            44  C8x C    36.8451  -19.8100
            45  N5x N    38.0576  -20.5100
            46  N1a N    38.0576  -16.3102
            47  O2b O    48.9545  -20.2320
            48  P1b P    50.3545  -20.2320
            49  O1c O    50.3545  -18.8320
            50  O1c O    51.7545  -20.2320
            51  O2c O    50.3545  -23.4520
            52  C1b C    30.7076  -25.8300
            53  C1b C    29.4951  -26.5300
            54  C1b C    28.2827  -25.8300
            55  C1b C    27.0703  -26.5300
            56  C1b C    25.8578  -25.8300
            57  C1a C    24.6247  -26.5422
BOND        59
            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   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1

» Japanese version

  All links  
Pathway (11)   
   KEGG PATHWAY (8)   
   KEGG MODULE (3)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (19)   
   KEGG ENZYME (10)   
   KEGG REACTION (9)   
Gene (35259)   
   KEGG GENES (35259)   
All databases (35295)   

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