KEGG   COMPOUND: C16388Help
Entry
C16388                      Compound                               

Name
(3R,6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapentaenoyl-CoA;
(6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosa-6,9,12,15,18-pentaenoyl-CoA
Formula
C45H72N7O18P3S
Exact mass
1123.3867
Mol weight
1124.0756
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01212  Fatty acid metabolism
Module
M00861  beta-Oxidation, peroxisome, VLCFA
Enzyme
1.1.1.-         4.2.1.119
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16388  (3R,6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapentaenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205686
ChEBI: 80482
NIKKAJI: J2.802.553J
LinkDB All DBs
KCF data Show

ATOM        74
            1   C1b C    27.9990  -20.3693
            2   C1c C    26.8685  -19.7043
            3   C1b C    25.6716  -20.3693
            4   C1b C    24.5411  -19.7043
            5   C2b C    23.4107  -20.3693
            6   C2b C    22.0807  -20.3693
            7   C1b C    20.9503  -19.7043
            8   C2b C    19.7533  -20.3693
            9   C2b C    18.4233  -20.3693
            10  C1b C    17.2929  -19.7043
            11  C2b C    16.0959  -20.3693
            12  C2b C    14.7660  -20.3693
            13  C1b C    13.5690  -19.7043
            14  C2b C    12.4386  -20.3693
            15  C2b C    11.1086  -20.3693
            16  C1b C     9.9781  -19.7043
            17  C2b C     8.7812  -20.3693
            18  C2b C     7.4512  -20.3693
            19  C1b C     6.3208  -19.7043
            20  C1b C     5.1903  -20.3693
            21  C1b C     3.9934  -19.7043
            22  C1b C     2.8629  -20.3693
            23  C1a C     1.7324  -19.7043
            24  O1a O    26.8685  -18.3744
            25  C5a C    29.1960  -19.7043
            26  S2a S    30.3264  -20.3693
            27  C1b C    31.4569  -19.7043
            28  C1b C    32.6538  -20.3693
            29  N1b N    33.7843  -19.7043
            30  C5a C    34.9147  -20.3693
            31  C1b C    36.1117  -19.7043
            32  C1b C    37.2422  -20.3693
            33  N1b N    38.3726  -19.7043
            34  C5a C    39.5696  -20.3693
            35  C1c C    40.7000  -19.7043
            36  C1d C    41.8305  -20.3693
            37  C1b C    42.9610  -19.7043
            38  O2b O    44.1579  -20.3693
            39  O5a O    29.1960  -18.3744
            40  O5a O    34.9147  -21.6992
            41  O5a O    39.5696  -21.6992
            42  O1a O    40.7000  -18.3744
            43  C1a C    41.8305  -19.0393
            44  C1a C    41.8305  -21.6992
            45  P1b P    45.4879  -20.3693
            46  O1c O    46.8178  -20.3693
            47  O1c O    45.4879  -21.6992
            48  C1y C    39.3036  -15.6480
            49  C1y C    40.6335  -15.6480
            50  C1y C    41.0325  -14.3845
            51  O2x O    39.9686  -13.5865
            52  C1y C    38.9046  -14.3845
            53  C1b C    42.2960  -13.9855
            54  O1a O    38.5056  -16.7119
            55  O2b O    41.4315  -16.7119
            56  P1b P    42.7615  -16.7119
            57  O1c O    42.7615  -15.3820
            58  O1c O    44.0914  -16.7119
            59  O1c O    42.7615  -18.0419
            60  C8y C    34.9812  -12.6556
            61  C8y C    34.9812  -13.9855
            62  N4y N    37.3087  -13.9855
            63  C8x C    37.3087  -12.6556
            64  N5x N    36.1117  -11.9906
            65  C8y C    33.8508  -11.9906
            66  N5x N    32.6538  -12.6556
            67  C8x C    32.6538  -13.9855
            68  N5x N    33.8508  -14.6505
            69  N1a N    33.8508  -10.6606
            70  O2b O    44.1579  -14.3845
            71  P1b P    45.4879  -14.3845
            72  O1c O    45.4879  -13.0545
            73  O1c O    46.8178  -14.3845
            74  O2c O    45.4879  -17.4434
BOND        76
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     5   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    2  24 1 #Up
            24    1  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   25  39 2
            39   30  40 2
            40   34  41 2
            41   35  42 1 #Down
            42   36  43 1
            43   36  44 1
            44   38  45 1
            45   45  46 2
            46   45  47 1
            47   48  49 1
            48   49  50 1
            49   50  51 1
            50   51  52 1
            51   48  52 1
            52   50  53 1 #Down
            53   48  54 1 #Up
            54   49  55 1 #Up
            55   55  56 1
            56   56  57 1
            57   56  58 1
            58   56  59 2
            59   60  61 2
            60   61  62 1
            61   62  63 1
            62   63  64 2
            63   60  64 1
            64   60  65 1
            65   65  66 2
            66   66  67 1
            67   67  68 2
            68   61  68 1
            69   65  69 1
            70   52  62 1 #Down
            71   53  70 1
            72   70  71 1
            73   71  72 1
            74   71  73 2
            75   71  74 1
            76   45  74 1

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