KEGG   COMPOUND: C05683
Entry
C05683                      Compound                               

Name
Ciliatocholate;
Ciliatocholic acid;
2-Aminoethylphosphocholate
Formula
C26H46NO7P
Exact mass
515.3012
Mol weight
515.6197
Structure
Reaction
Pathway
map00440  Phosphonate and phosphinate metabolism
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0402 C26 bile acids, alcohols, and derivatives
    C05683  2-Aminoethylphosphocholic acid
Other DBs
PubChem: 7990
ChEBI: 1019
3DMET: B05094
NIKKAJI: J2.758.807G
LinkDB
KCF data

ATOM        35
            1   C1y C    15.6729  -17.9378
            2   C1y C    16.8633  -17.2592
            3   C1y C    14.4711  -17.2477
            4   C1y C    15.6844  -19.3122
            5   C1z C    16.8518  -15.8847
            6   C1z C    13.2743  -17.9319
            7   C1x C    14.5239  -15.8732
            8   C1x C    14.4999  -19.9908
            9   O1a O    16.8922  -20.0023
            10  C1y C    15.6443  -15.1945
            11  C1a C    16.8002  -14.8233
            12  C1y C    13.2922  -19.3007
            13  C1x C    12.0673  -17.2418
            14  C1a C    13.2633  -16.5576
            15  O1a O    15.6271  -13.8260
            16  C1x C    12.1018  -19.9793
            17  C1x C    10.8769  -17.9204
            18  C1y C    10.8240  -19.2892
            19  O1a O     9.5197  -20.1345
            20  C1x C    19.2691  -17.3085
            21  C1x C    19.2571  -15.8645
            22  C1y C    18.0486  -15.1802
            23  C1c C    18.0486  -13.7915
            24  C1b C    19.2451  -13.1008
            25  C1b C    20.4399  -13.7909
            26  C5a C    21.6133  -13.1136
            27  N1b N    22.7971  -13.7975
            28  C1b C    23.9760  -13.1170
            29  C1a C    17.0667  -12.8096
            30  O5a O    21.6135  -11.7228
            31  C1b C    25.1570  -13.7990
            32  P1b P    26.3372  -13.1178
            33  O1c O    27.7259  -13.1178
            34  O1c O    26.3372  -11.7291
            35  O1c O    26.3372  -14.5065
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14   10  15 1 #Down
            15   12  16 1
            16   13  17 1
            17   16  18 1
            18   18  19 1 #Down
            19    7  10 1
            20    8  12 1
            21   17  18 1
            22    2  20 1
            23   20  21 1
            24   21  22 1
            25    5  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   23  29 1 #Down
            33   26  30 2
            34   28  31 1
            35   31  32 1
            36   32  33 2
            37   32  34 1
            38   32  35 1

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