KEGG   COMPOUND: C02451
Entry
C02451                      Compound                               
Name
Pent-2-enoyl-CoA
Formula
C26H42N7O17P3S
Exact mass
849.1571
Mol weight
849.6347
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C02451  (2E)-Pentenoyl-CoA
Other DBs
PubChem: 5471
ChEBI: 27962
LIPIDMAPS: LMFA07050361
3DMET: B04852
NIKKAJI: J2.736.872G
LinkDB
KCF data

ATOM        54
            1   C2b C    26.5524  -40.7400
            2   C5a C    27.7649  -40.0400
            3   S2a S    28.9773  -40.7400
            4   C1b C    30.1897  -40.0400
            5   C1b C    31.4022  -40.7400
            6   N1b N    32.6146  -40.0400
            7   C5a C    33.8270  -40.7400
            8   C1b C    35.0395  -40.0400
            9   C1b C    36.2519  -40.7400
            10  N1b N    37.4644  -40.0400
            11  C5a C    38.6768  -40.7400
            12  C1c C    39.8892  -40.0400
            13  C1d C    41.1017  -40.7400
            14  C1b C    42.3141  -40.0400
            15  O2b O    43.5265  -40.7400
            16  O5a O    27.7649  -38.6402
            17  O5a O    33.8270  -42.1399
            18  O5a O    38.6768  -42.1396
            19  O1a O    39.8892  -38.6400
            20  C1a C    41.1017  -39.3400
            21  C1a C    41.1017  -42.1400
            22  P1b P    44.9265  -40.7400
            23  O1c O    46.3265  -40.7400
            24  O1c O    44.9265  -42.1400
            25  C1y C    38.4300  -35.7700
            26  C1y C    39.8300  -35.7700
            27  C1y C    40.2626  -34.4385
            28  O2x O    39.1300  -33.6156
            29  C1y C    37.9974  -34.4385
            30  C1b C    41.5822  -34.0097
            31  O1a O    37.6071  -36.9026
            32  O2b O    40.6529  -36.9026
            33  P1b P    42.0529  -36.9026
            34  O1c O    42.0529  -35.5026
            35  O1c O    43.4529  -36.9026
            36  O1c O    42.0529  -38.3026
            37  C8y C    33.8800  -32.6200
            38  C8y C    33.8800  -34.0200
            39  N4y N    36.3049  -34.0200
            40  C8x C    36.3049  -32.6200
            41  N5x N    35.0924  -31.9200
            42  C8y C    32.6676  -31.9200
            43  N5x N    31.4551  -32.6200
            44  C8x C    31.4551  -34.0200
            45  N5x N    32.6676  -34.7200
            46  N1a N    32.6676  -30.5202
            47  O2b O    43.5645  -34.4420
            48  P1b P    44.9645  -34.4420
            49  O1c O    44.9645  -33.0420
            50  O1c O    46.3645  -34.4420
            51  O2c O    44.9645  -37.6620
            52  C2b C    25.3233  -40.0302
            53  C1b C    24.1192  -40.7253
            54  C1a C    22.9363  -40.0422
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 2
            55   52  53 1
            56   53  54 1

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