KEGG   COMPOUND: C00307Help
Entry
C00307                      Compound                               

Name
CDP-choline;
Cytidine 5'-diphosphocholine;
Citicoline
Formula
C14H26N4O11P2
Exact mass
488.1073
Mol weight
488.324
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Glycerophospholipid metabolism
Metabolic pathways
Choline metabolism in cancer
Module
M00090  
Phosphatidylcholine (PC) biosynthesis, choline => PC
Enzyme
2.7.7.15        2.7.8.2         2.7.8.3         2.7.8.10        
2.7.8.22        3.6.1.53
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06B PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
    N06BX Other psychostimulants and nootropics
     N06BX06 Citicoline
      D00057  Citicoline (JAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D00057  Citicoline (JP17/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00057  Citicoline
BRITE hierarchy
Other DBs
CAS: 
987-78-0
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C1y C    14.9800  -22.3300
            2   C1y C    16.3800  -22.3300
            3   C1y C    16.8126  -20.9985
            4   O2x O    15.6800  -20.1756
            5   C1y C    14.5474  -20.9985
            6   N4y N    18.0251  -18.8985
            7   C1b C    13.3349  -20.2985
            8   O2b O    12.1225  -20.9985
            9   O1a O    14.1571  -23.4626
            10  O1a O    17.2029  -23.4626
            11  C8x C    19.2375  -18.1985
            12  C8x C    19.2375  -16.7985
            13  C8y C    18.0251  -16.0985
            14  N5x N    16.8127  -16.7985
            15  C8y C    16.8127  -18.1985
            16  O5x O    15.5901  -18.9044
            17  N1a N    18.0251  -14.7004
            18  P1b P    10.7225  -20.9985
            19  O2c O     9.3225  -20.9985
            20  P1b P     7.9225  -20.9985
            21  O2b O     6.5225  -20.9985
            22  O1c O    10.7225  -19.6001
            23  O1c O    10.7225  -22.3999
            24  O1c O     7.9225  -19.6001
            25  O1c O     7.9225  -22.3999 #-
            26  C1b C     5.3101  -20.2985
            27  C1b C     4.0976  -20.9985
            28  N1d N     2.9103  -20.3127 #+
            29  C1a C     1.7151  -19.6221
            30  C1a C     2.2233  -21.5026
            31  C1a C     3.6232  -19.0780
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 1 #Up
            7     5   7 1 #Up
            8     7   8 1
            9     1   9 1 #Down
            10    2  10 1 #Down
            11    6  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16    6  15 1
            17   15  16 2
            18   13  17 1
            19    8  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   18  22 2
            24   18  23 1
            25   20  24 2
            26   20  25 1
            27   21  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   28  30 1
            32   28  31 1

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