KEGG   COMPOUND: C00412Help
Entry
C00412                      Compound                               

Name
Stearoyl-CoA;
Stearyl-CoA;
Stearyl coenzyme A
Formula
C39H70N7O17P3S
Exact mass
1033.3762
Mol weight
1033.9961
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of unsaturated fatty acids
Biosynthesis of plant hormones
Metabolic pathways
Fatty acid metabolism
Enzyme
1.3.1.38        1.3.1.93        1.14.19.1       2.3.1.119       
3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C00412  Octadecanoyl-CoA
BRITE hierarchy
Other DBs
CAS: 
362-66-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        67
            1   C1b C    39.7600  -35.4900
            2   C5a C    41.0200  -34.7900
            3   S2a S    42.2100  -35.4900
            4   C1b C    43.4000  -34.7900
            5   C1b C    44.6600  -35.4900
            6   N1b N    45.8500  -34.7900
            7   C5a C    47.0400  -35.4900
            8   C1b C    48.3000  -34.7900
            9   C1b C    49.4900  -35.4900
            10  N1b N    50.6800  -34.7900
            11  C5a C    51.9400  -35.4900
            12  C1c C    53.1300  -34.7900
            13  C1d C    54.3200  -35.4900
            14  C1b C    55.5100  -34.7900
            15  O2b O    56.7700  -35.4900
            16  O5a O    41.0200  -33.3900
            17  O5a O    47.0400  -36.8900
            18  O5a O    51.9400  -36.8900
            19  O1a O    53.1300  -33.3900
            20  C1a C    54.3200  -34.0900
            21  C1a C    54.3200  -36.8900
            22  P1b P    58.1700  -35.4900
            23  O1c O    59.5700  -35.4900
            24  O1c O    58.1700  -36.8900
            25  C1y C    51.6600  -30.5200
            26  C1y C    53.0600  -30.5200
            27  C1y C    53.4800  -29.1900
            28  O2x O    52.3600  -28.3500
            29  C1y C    51.2400  -29.1900
            30  C1b C    54.8100  -28.7700
            31  O1a O    50.8200  -31.6400
            32  O2b O    53.9000  -31.6400
            33  P1b P    55.3000  -31.6400
            34  O1c O    55.3000  -30.2400
            35  O1c O    56.7000  -31.6400
            36  O1c O    55.3000  -33.0400
            37  C8y C    47.1100  -27.3700
            38  C8y C    47.1100  -28.7700
            39  N4y N    49.5600  -28.7700
            40  C8x C    49.5600  -27.3700
            41  N5x N    48.3000  -26.6700
            42  C8y C    45.9200  -26.6700
            43  N5x N    44.6600  -27.3700
            44  C8x C    44.6600  -28.7700
            45  N5x N    45.9200  -29.4700
            46  N1a N    45.9200  -25.2700
            47  O2b O    56.7700  -29.1900
            48  P1b P    58.1700  -29.1900
            49  O1c O    58.1700  -27.7900
            50  O1c O    59.5700  -29.1900
            51  O2c O    58.1700  -32.4100
            52  C1b C    38.6400  -34.7900
            53  C1b C    37.4500  -35.4900
            54  C1b C    36.2600  -34.7900
            55  C1b C    35.0700  -35.4900
            56  C1b C    33.8800  -34.7900
            57  C1b C    32.6900  -35.4900
            58  C1b C    31.5000  -34.7900
            59  C1b C    30.3100  -35.4900
            60  C1b C    29.1200  -34.7900
            61  C1b C    27.9300  -35.4900
            62  C1b C    26.7400  -34.7900
            63  C1b C    25.5500  -35.4900
            64  C1b C    24.3600  -34.7900
            65  C1b C    23.1700  -35.4900
            66  C1b C    21.9800  -34.7900
            67  C1a C    20.7900  -35.4900
BOND        69
            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
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1

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