KEGG   COMPOUND: C21482
Entry
C21482                      Compound                               

Name
1-Octadecanoyl-2-(15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine;
18:0/15-HETE-PE
Formula
C43H78NO9P
Exact mass
783.5414
Mol weight
784.0545
Structure
Pathway
map04216  Ferroptosis
Brite
Lipids [BR:br08002]
 GP  Glycerophospholipids
  GP20 Oxidized glycerophospholipids
   GP2002 Oxidized glycerophosphoethanolamines
    C21482  1-Octadecanoyl-2-(15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
Other DBs
PubChem: 329970434
LinkDB
KCF data

ATOM        54
            1   C1c C    18.7352  -20.2781
            2   C1b C    18.7352  -21.6808
            3   C1b C    17.4728  -19.5768
            4   O7a O    19.9275  -19.5768
            5   O2b O    19.9275  -22.3821
            6   O7a O    17.4728  -18.1741
            7   C7a C    19.9275  -18.1741
            8   P1b P    21.3301  -22.3821
            9   C7a C    16.2805  -17.4728
            10  O6a O    18.7352  -17.4728
            11  C1b C    21.1197  -17.4728
            12  O2b O    22.7328  -22.3821
            13  O1c O    21.3301  -20.9795
            14  O1c O    21.3301  -23.7848
            15  O6a O    15.0882  -18.1741
            16  C1b C    16.2805  -16.0701
            17  C1b C    23.4341  -23.5744
            18  C1b C    24.8368  -23.5744
            19  N1a N    25.5382  -24.7667
            20  C1b C    17.4728  -15.3688
            21  C1b C    18.7352  -16.0701
            22  C1b C    19.9275  -15.3688
            23  C1b C    21.1197  -16.0701
            24  C1b C    22.3821  -15.3688
            25  C1b C    23.5744  -16.0701
            26  C1b C    24.7667  -15.3688
            27  C1b C    26.0291  -16.0701
            28  C1b C    27.2214  -15.3688
            29  C1b C    28.4136  -16.0701
            30  C1b C    29.6059  -15.3688
            31  C1b C    30.8683  -16.0701
            32  C1b C    32.0606  -15.3688
            33  C1b C    33.2529  -16.0701
            34  C2b C    28.6240  -18.1741
            35  C2b C    30.0267  -18.1741
            36  C1b C    27.4318  -17.4728
            37  C1b C    31.2190  -17.4728
            38  C2b C    26.1694  -18.1741
            39  C2b C    32.4814  -18.1741
            40  C2b C    24.7667  -18.1741
            41  C2b C    33.8841  -18.1741
            42  C1b C    23.5744  -17.4728
            43  C2b C    35.0763  -17.4728
            44  C1b C    22.3821  -18.1741
            45  C2b C    36.2686  -18.1741
            46  C1c C    37.6713  -18.1741
            47  C1b C    38.9337  -17.4728
            48  C1b C    40.1260  -18.1741
            49  C1b C    41.3182  -17.4728
            50  C1b C    42.5105  -18.1741
            51  C1a C    43.7729  -17.4728
            52  C1b C    34.4733  -15.3787
            53  C1a C    35.6569  -16.0751
            54  O1a O    38.0283  -19.5507
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     7  10 2
            10    7  11 1
            11    8  12 1
            12    8  13 1
            13    8  14 2
            14    9  15 2
            15    9  16 1
            16   12  17 1
            17   17  18 1
            18   18  19 1
            19   16  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  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   34  35 2
            34   34  36 1
            35   35  37 1
            36   36  38 1
            37   37  39 1
            38   38  40 2
            39   39  41 2
            40   40  42 1
            41   41  43 1
            42   42  44 1
            43   43  45 2
            44   44  11 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   50  51 1
            51   33  52 1
            52   52  53 1
            53   46  54 1 #Down

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