KEGG   COMPOUND: C00412
Entry
C00412                      Compound                               

Name
Stearoyl-CoA;
Stearyl-CoA;
Stearyl coenzyme A
Formula
C39H70N7O17P3S
Exact mass
1033.3762
Mol weight
1033.9961
Structure
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01070  Biosynthesis of plant hormones
map01212  Fatty acid metabolism
Enzyme
1.3.1.93        1.14.19.1       1.14.19.-       2.3.1.252       
2.3.1.288       3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C00412  Octadecanoyl-CoA
Other DBs
CAS: 362-66-3
PubChem: 3702
ChEBI: 15541
LIPIDMAPS: LMFA07050369
PDB-CCD: ST9[PDBj]
3DMET: B04680
NIKKAJI: J426.067H
LinkDB
KCF data

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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