KEGG   COMPOUND: C13896
Entry
C13896                      Compound                               
Name
sn-Caldarchaeo-1-phosphoethanolamine
Formula
C88H178NO9P
Exact mass
1424.3239
Mol weight
1425.33
Structure
Brite
Lipids [BR:br08002]
 GP  Glycerophospholipids
  GP18 Di-glycerol tetraether phospholipids (caldarchaeols)
   C13896  sn-Caldarchaeo-1-phosphoethanolamine
Other DBs
PubChem: 854141
ChEBI: 35098
LIPIDMAPS: LMGP18000001
3DMET: B05676
NIKKAJI: J2.787.089I
LinkDB
KCF data

ATOM        99
            1   C1b C     6.1475  -17.2919
            2   C1b C     7.3888  -16.5754
            3   C1c C     8.6299  -17.2919
            4   C1b C     9.8711  -16.5754
            5   C1b C    11.1124  -17.2919
            6   C1b C    12.3535  -16.5754
            7   C1c C    13.5949  -17.2919
            8   C1b C    14.8362  -16.5754
            9   C1b C    16.0774  -17.2919
            10  C1b C    17.3185  -16.5754
            11  C1c C    18.5597  -17.2919
            12  C1b C    19.8010  -16.5754
            13  C1b C    21.0422  -17.2919
            14  C1b C    22.2834  -16.5754
            15  C1c C    23.5247  -17.2919
            16  C1b C    24.7659  -16.5754
            17  C1b C    26.0072  -17.2919
            18  C1c C    27.2484  -16.5754
            19  C1b C    28.4895  -17.2919
            20  C1b C    29.7308  -16.5754
            21  C1b C    30.9720  -17.2919
            22  C1c C    32.2132  -16.5754
            23  C1b C    33.4545  -17.2919
            24  C1b C    34.6957  -16.5754
            25  C1b C    35.9368  -17.2919
            26  C1c C    37.1782  -16.5754
            27  C1b C    38.4194  -17.2919
            28  C1b C    39.6606  -16.5754
            29  C1b C    40.9019  -17.2919
            30  C1c C    42.1431  -16.5754
            31  C1b C    43.3842  -17.2919
            32  C1b C    44.6255  -16.5754
            33  O2a O     4.7143  -17.2919
            34  C1b C     3.2811  -17.2919
            35  C1c C     3.2811  -19.4419
            36  O2a O     4.7143  -19.4419
            37  C1b C     3.2811  -21.5918
            38  O1a O     4.7143  -21.5918
            39  C1b C     6.1475  -19.4419
            40  C1b C     7.3888  -18.7252
            41  C1c C     8.6299  -19.4419
            42  C1b C     9.8711  -18.7252
            43  C1b C    11.1124  -19.4419
            44  C1b C    12.3535  -18.7252
            45  C1c C    13.5949  -19.4419
            46  C1b C    14.8362  -18.7252
            47  C1b C    16.0774  -19.4419
            48  C1b C    17.3185  -18.7252
            49  C1c C    18.5597  -19.4419
            50  C1b C    19.8010  -18.7252
            51  C1b C    21.0422  -19.4419
            52  C1b C    22.2834  -18.7252
            53  C1c C    23.5247  -19.4419
            54  C1b C    24.7659  -18.7252
            55  C1b C    26.0072  -19.4419
            56  C1c C    27.2484  -18.7252
            57  C1b C    28.4895  -19.4419
            58  C1b C    29.7308  -18.7252
            59  C1b C    30.9720  -19.4419
            60  C1c C    32.2132  -18.7252
            61  C1b C    33.4545  -19.4419
            62  C1b C    34.6957  -18.7252
            63  C1b C    35.9368  -19.4419
            64  C1c C    37.1782  -18.7252
            65  C1b C    38.4194  -19.4419
            66  C1b C    39.6606  -18.7252
            67  C1b C    40.9019  -19.4419
            68  C1c C    42.1431  -18.7252
            69  C1b C    43.3842  -19.4419
            70  C1b C    44.6255  -18.7252
            71  O2a O    46.0394  -16.5754
            72  O2a O    46.0394  -18.7252
            73  C1b C    47.4727  -18.7252
            74  C1c C    47.4727  -16.5754
            75  C1b C    47.4727  -14.2344
            76  C1a C     8.6299  -18.2017
            77  C1a C     8.6299  -20.6362
            78  C1a C    13.5949  -18.2017
            79  C1a C    13.5949  -20.6362
            80  C1a C    18.5597  -18.2017
            81  C1a C    18.5597  -20.6362
            82  C1a C    23.5247  -18.2017
            83  C1a C    23.5247  -20.6362
            84  C1a C    27.2484  -15.3811
            85  C1a C    27.2484  -17.8155
            86  C1a C    32.2132  -15.3811
            87  C1a C    32.2132  -17.8155
            88  C1a C    37.1782  -15.3812
            89  C1a C    37.1782  -17.8156
            90  C1a C    42.1431  -15.3812
            91  C1a C    42.1431  -17.8156
            92  O2b O    48.9335  -14.2433
            93  P1b P    50.3327  -14.2433
            94  O2b O    51.7319  -14.2433
            95  O1c O    50.3327  -12.8442
            96  O1c O    50.3327  -15.6424
            97  C1b C    52.4315  -15.4559
            98  C1b C    53.8307  -15.4559
            99  N1a N    54.5303  -16.6685
BOND        99
            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   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  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    1  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   35  37 1
            37   37  38 1
            38   36  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 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   51  52 1
            52   52  53 1
            53   53  54 1
            54   54  55 1
            55   55  56 1
            56   56  57 1
            57   57  58 1
            58   58  59 1
            59   59  60 1
            60   60  61 1
            61   61  62 1
            62   62  63 1
            63   63  64 1
            64   64  65 1
            65   65  66 1
            66   66  67 1
            67   67  68 1
            68   68  69 1
            69   69  70 1
            70   32  71 1
            71   70  72 1
            72   72  73 1
            73   71  74 1
            74   73  74 1
            75   74  75 1
            76    3  76 1 #Down
            77   41  77 1 #Down
            78    7  78 1 #Down
            79   45  79 1 #Down
            80   11  80 1 #Down
            81   49  81 1 #Down
            82   15  82 1 #Down
            83   53  83 1 #Down
            84   18  84 1 #Down
            85   56  85 1 #Down
            86   22  86 1 #Down
            87   60  87 1 #Down
            88   26  88 1 #Down
            89   64  89 1 #Down
            90   30  90 1 #Down
            91   68  91 1 #Down
            92   92  93 1
            93   93  94 1
            94   93  95 1
            95   93  96 2
            96   94  97 1
            97   97  98 1
            98   98  99 1
            99   75  92 1

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