KEGG   COMPOUND: C03486
Entry
C03486                      Compound                               
Name
CDP-N-methylethanolamine
Formula
C12H22N4O11P2
Exact mass
460.076
Mol weight
460.2708
Structure
Reaction
Enzyme
Other DBs
PubChem: 6298
ChEBI: 15868
NIKKAJI: J2.066.948I
LinkDB
KCF data

ATOM        29
            1   C1y C    24.8127  -16.7367
            2   N4y N    25.6634  -14.4929
            3   O2x O    23.7031  -15.9353
            4   C1y C    24.4058  -18.0004
            5   C8y C    24.4922  -13.8087
            6   C8x C    26.8408  -13.8332
            7   C1y C    22.6182  -16.7181
            8   C1y C    23.0435  -18.0004
            9   O1a O    25.2010  -19.0091
            10  N5x N    24.4982  -12.4710
            11  O5x O    23.3272  -14.4745
            12  C8x C    26.8408  -12.4710
            13  C1b C    21.3421  -16.3236
            14  O1a O    22.2730  -19.0214
            15  C8y C    25.6695  -11.7867
            16  O2b O    20.0045  -16.3236
            17  N1a N    25.6695  -10.4490
            18  P1b P    18.6607  -16.3236
            19  O2c O    17.3230  -16.3236
            20  O1c O    18.6607  -17.6613
            21  O1c O    18.6607  -14.9798
            22  P1b P    15.9731  -16.3236
            23  O2b O    14.6292  -16.3236
            24  O1c O    15.9669  -17.6613
            25  O1c O    15.9731  -14.9798
            26  C1b C    13.9635  -17.4825
            27  C1b C    12.6197  -17.4825
            28  N1b N    11.9477  -18.6477
            29  C1a C     9.8660  -18.6538
BOND        30
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29    7   8 1
            30   12  15 1

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