KEGG   COMPOUND: C16375Help
Entry
C16375                      Compound                               

Name
(3R,6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexaenoyl-CoA;
(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosa-6,9,12,15,18,21-hexaenoyl-CoA
Formula
C45H70N7O18P3S
Exact mass
1121.3711
Mol weight
1122.0597
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
    C16375  (3R,6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexaenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205683
ChEBI: 65130
NIKKAJI: J2.802.539D
LinkDB All DBs
KCF data Show

ATOM        74
            1   C1b C    28.2448  -20.3550
            2   C1c C    27.1152  -19.6905
            3   C1b C    25.9191  -20.3550
            4   C1b C    24.7894  -19.6905
            5   C2b C    23.6598  -20.3550
            6   C2b C    22.3308  -20.3550
            7   C1b C    21.2011  -19.6905
            8   C2b C    20.0050  -20.3550
            9   C2b C    18.6760  -20.3550
            10  C1b C    17.5464  -19.6905
            11  C2b C    16.3503  -20.3550
            12  C2b C    15.0213  -20.3550
            13  C1b C    13.8252  -19.6905
            14  C2b C    12.6955  -20.3550
            15  C2b C    11.3665  -20.3550
            16  C1b C    10.2369  -19.6905
            17  C2b C     9.0408  -20.3550
            18  C2b C     7.7118  -20.3550
            19  C1b C     6.5157  -19.6905
            20  C2b C     5.3860  -20.3550
            21  C2b C     4.0570  -20.3550
            22  C1b C     2.8609  -19.6905
            23  C1a C     1.7313  -20.3550
            24  O1a O    27.1152  -18.3615
            25  C5a C    29.4409  -19.6905
            26  S2a S    30.5706  -20.3550
            27  C1b C    31.7002  -19.6905
            28  C1b C    32.8963  -20.3550
            29  N1b N    34.0260  -19.6905
            30  C5a C    35.1556  -20.3550
            31  C1b C    36.3517  -19.6905
            32  C1b C    37.4814  -20.3550
            33  N1b N    38.6110  -19.6905
            34  C5a C    39.8071  -20.3550
            35  C1c C    40.9368  -19.6905
            36  C1d C    42.0664  -20.3550
            37  C1b C    43.1961  -19.6905
            38  O2b O    44.3922  -20.3550
            39  O5a O    29.4409  -18.3615
            40  O5a O    35.1556  -21.6840
            41  O5a O    39.8071  -21.6840
            42  O1a O    40.9368  -18.3615
            43  C1a C    42.0664  -19.0260
            44  C1a C    42.0664  -21.6840
            45  P1b P    45.7212  -20.3550
            46  O1c O    47.0502  -20.3550
            47  O1c O    45.7212  -21.6840
            48  C1y C    39.5413  -15.6371
            49  C1y C    40.8703  -15.6371
            50  C1y C    41.2690  -14.3745
            51  O2x O    40.2058  -13.5771
            52  C1y C    39.1426  -14.3745
            53  C1b C    42.5316  -13.9758
            54  O1a O    38.7439  -16.7003
            55  O2b O    41.6677  -16.7003
            56  P1b P    42.9967  -16.7003
            57  O1c O    42.9967  -15.3713
            58  O1c O    44.3257  -16.7003
            59  O1c O    42.9967  -18.0293
            60  C8y C    35.2221  -12.6468
            61  C8y C    35.2221  -13.9758
            62  N4y N    37.5478  -13.9758
            63  C8x C    37.5478  -12.6468
            64  N5x N    36.3517  -11.9823
            65  C8y C    34.0924  -11.9823
            66  N5x N    32.8963  -12.6468
            67  C8x C    32.8963  -13.9758
            68  N5x N    34.0924  -14.6403
            69  N1a N    34.0924  -10.6533
            70  O2b O    44.3922  -14.3745
            71  P1b P    45.7212  -14.3745
            72  O1c O    45.7212  -13.0455
            73  O1c O    47.0502  -14.3745
            74  O2c O    45.7212  -17.4312
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 2
            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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