KEGG   COMPOUND: C05272Help
Entry
C05272                      Compound                               

Name
trans-Hexadec-2-enoyl-CoA;
trans-2-Hexadecenoyl-CoA;
(2E)-Hexadecenoyl-CoA
Formula
C37H64N7O17P3S
Exact mass
1003.3292
Mol weight
1003.927
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fatty acid elongation
Fatty acid degradation
Metabolic pathways
Fatty acid metabolism
Module
M00087  
beta-Oxidation
Enzyme
1.3.1.8         1.3.1.38        1.3.3.6         1.3.8.7         
1.3.8.8         1.3.8.9         1.3.99.-        4.2.1.17        
4.2.1.74
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C05272  (2E)-Hexadecenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        65
            1   S2a S    21.1373  -20.5800
            2   C1b C    22.3497  -19.8800
            3   C1b C    23.5622  -20.5800
            4   N1b N    24.7746  -19.8800
            5   C5a C    25.9870  -20.5800
            6   C1b C    27.1995  -19.8800
            7   C1b C    28.4119  -20.5800
            8   N1b N    29.6244  -19.8800
            9   C5a C    30.8368  -20.5800
            10  C1c C    32.0492  -19.8800
            11  C1d C    33.2617  -20.5800
            12  C1b C    34.4741  -19.8800
            13  O2b O    35.6865  -20.5800
            14  O5a O    25.9870  -21.9799
            15  O5a O    30.8368  -21.9796
            16  O1a O    32.0492  -18.4800
            17  C1a C    33.2617  -19.1800
            18  C1a C    33.2617  -21.9800
            19  P1b P    37.0865  -20.5800
            20  O1c O    38.4865  -20.5800
            21  O1c O    37.0865  -21.9800
            22  C1y C    30.5900  -15.6100
            23  C1y C    31.9900  -15.6100
            24  C1y C    32.4226  -14.2785
            25  O2x O    31.2900  -13.4556
            26  C1y C    30.1574  -14.2785
            27  C1b C    33.7422  -13.8497
            28  O1a O    29.7671  -16.7426
            29  O2b O    32.8129  -16.7426
            30  P1b P    34.2129  -16.7426
            31  O1c O    34.2129  -15.3426
            32  O1c O    35.6129  -16.7426
            33  O1c O    34.2129  -18.1426
            34  C8y C    26.0400  -12.4600
            35  C8y C    26.0400  -13.8600
            36  N4y N    28.4649  -13.8600
            37  C8x C    28.4649  -12.4600
            38  N5x N    27.2524  -11.7600
            39  C8y C    24.8276  -11.7600
            40  N5x N    23.6151  -12.4600
            41  C8x C    23.6151  -13.8600
            42  N5x N    24.8276  -14.5600
            43  N1a N    24.8276  -10.3602
            44  O2b O    35.7245  -14.2820
            45  P1b P    37.1245  -14.2820
            46  O1c O    37.1245  -12.8820
            47  O1c O    38.5245  -14.2820
            48  O2c O    37.1245  -17.5020
            49  C5a C    19.9276  -19.8800
            50  C2b C    18.7151  -20.5800
            51  C2b C    17.5027  -19.8800
            52  C1b C    16.2903  -20.5800
            53  C1b C    15.0778  -19.8800
            54  C1b C    13.8654  -20.5800
            55  C1b C    12.6530  -19.8800
            56  C1b C    11.4405  -20.5800
            57  C1b C    10.2281  -19.8800
            58  C1b C     9.0156  -20.5800
            59  C1b C     7.8032  -19.8800
            60  C1b C     6.5908  -20.5800
            61  C1b C     5.3783  -19.8800
            62  C1b C     4.1659  -20.5800
            63  C1b C     2.9535  -19.8800
            64  O5a O    19.9282  -18.4802
            65  C1a C     1.7310  -20.5859
BOND        67
            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    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   50  51 2
            54   51  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   49  64 2
            67   63  65 1

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