MiMeDB: Showing metabocard for CDP (MMDBc0029668)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:36:47 UTC

Update Date

2022-08-31 17:11:26 UTC

Metabolite ID

MMDBc0029668

Metabolite Identification

Common Name

CDP

Description

Cytidine 5'-(trihydrogen diphosphate) is cytosine nucleotide containing two phosphate groups esterified to the sugar (ribose) moiety.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0001546
     RDKit          3D
CDP
 40 41  0  0  0  0  0  0  0  0999 V2000
    5.7352   -2.3919    2.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5258   -1.8675    1.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008   -2.6114    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3075   -1.9534    0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -0.6253    0.6552 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    0.0340    0.2604 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9090    0.2990   -1.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1620    1.1936   -0.8970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9165    1.5992   -2.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4121    0.3858   -2.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -0.1030   -1.7025 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.2786    0.9986   -0.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.3773   -0.7236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9544   -0.7762   -2.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1712   -1.1975   -1.4407 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6100   -1.0945   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3931   -0.0588   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7178   -2.7679   -1.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219    2.2641   -0.1027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2928    3.2816    0.3557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    1.3411    1.0410 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1217    1.2344    1.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847    0.0718    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671    1.3258    0.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -0.5618    1.4379 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0090   -3.3480    2.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2894   -1.7489    3.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3592   -3.6597    1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022   -2.5172    0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.5940    0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    0.7132   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604    2.3502   -1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792    1.9798   -2.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2669   -1.2373    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4508    0.0617   -2.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2041   -2.8027   -2.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    2.7120   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1487    3.5846    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254    1.6938    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    1.4118    2.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  1  0
 23 24  2  0
 23 25  1  0
 25  2  2  0
 21  6  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  4 29  1  0
  6 30  1  1
  8 31  1  1
  9 32  1  0
  9 33  1  0
 13 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  1
 22 40  1  0
M  END


  Mrv1652309042000242D          

 25 26  0  0  0  0            999 V2000
 9998.433210001.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.222310001.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.6882 9999.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.211410000.9255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.403510000.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.1168 9999.6899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7809 9998.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.832110000.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7066 9998.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.5312 9998.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.5536 9999.7023    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1414 9998.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.269010000.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9659 9998.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9245 9999.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.210110000.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4955 9999.6896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4955 9998.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2100 9998.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9245 9998.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3096 9999.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.642210000.0919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.897110000.8765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.722110000.8765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.977010000.0919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 15 16  1  0  0  0  0
 20 15  1  0  0  0  0
 16  4  2  0  0  0  0
 18  7  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 23  1  1  6  0  0  0
 22 15  1  1  0  0  0
 24  2  1  6  0  0  0
 25  3  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029668

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

> <INCHI_KEY>
ZWIADYZPOWUWEW-XVFCMESISA-N

> <FORMULA>
C9H15N3O11P2

> <MOLECULAR_WEIGHT>
403.1764

> <EXACT_MASS>
403.018181361

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
31.38641764457615

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-1.38

> <JCHEM_LOGP>
-3.342881794666666

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.2106934533838944

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7787851127589387

> <JCHEM_PKA_STRONGEST_BASIC>
-0.03320007450946405

> <JCHEM_POLAR_SURFACE_AREA>
221.66999999999996

> <JCHEM_REFRACTIVITY>
76.2906

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.01e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
CDP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001546
     RDKit          3D
CDP
 40 41  0  0  0  0  0  0  0  0999 V2000
    5.7352   -2.3919    2.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5258   -1.8675    1.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008   -2.6114    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3075   -1.9534    0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -0.6253    0.6552 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    0.0340    0.2604 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9090    0.2990   -1.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1620    1.1936   -0.8970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9165    1.5992   -2.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4121    0.3858   -2.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -0.1030   -1.7025 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.2786    0.9986   -0.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.3773   -0.7236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9544   -0.7762   -2.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1712   -1.1975   -1.4407 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6100   -1.0945   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3931   -0.0588   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7178   -2.7679   -1.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219    2.2641   -0.1027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2928    3.2816    0.3557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    1.3411    1.0410 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1217    1.2344    1.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847    0.0718    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671    1.3258    0.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -0.5618    1.4379 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0090   -3.3480    2.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2894   -1.7489    3.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3592   -3.6597    1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022   -2.5172    0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.5940    0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    0.7132   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604    2.3502   -1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792    1.9798   -2.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2669   -1.2373    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4508    0.0617   -2.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2041   -2.8027   -2.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    2.7120   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1487    3.5846    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254    1.6938    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    1.4118    2.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  1  0
 23 24  2  0
 23 25  1  0
 25  2  2  0
 21  6  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  4 29  1  0
  6 30  1  1
  8 31  1  1
  9 32  1  0
  9 33  1  0
 13 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  1
 22 40  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0    8663.7428669.556   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8667.0828669.541   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8667.9518666.088   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8661.4618668.394   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8669.2878666.855   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0    8670.6188666.088   0.000  0.00  0.00           P+0
HETATM    7  N   UNK     0    8658.7918663.777   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0    8671.9538666.855   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8669.8528664.754   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8671.3928664.754   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0    8673.3008666.111   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0    8672.5318664.778   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8674.6358666.878   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8674.0708664.778   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0    8662.7928666.087   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0    8661.4598666.857   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0    8660.1258666.087   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0    8660.1258664.547   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8661.4598663.777   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8662.7928664.547   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0    8665.3788665.933   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0    8664.1328666.838   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8664.6088668.303   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8666.1488668.303   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8666.6248666.838   0.000  0.00  0.00           C+0
CONECT    1   23                                                            
CONECT    2   24                                                            
CONECT    3    5   25                                                       
CONECT    4   16                                                            
CONECT    5    3    6                                                       
CONECT    6    5    8    9   10                                             
CONECT    7   18                                                            
CONECT    8    6   11                                                       
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11    8   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
CONECT   15   16   20   22                                                  
CONECT   16   17   15    4                                                  
CONECT   17   16   18                                                       
CONECT   18   19   17    7                                                  
CONECT   19   18   20                                                       
CONECT   20   19   15                                                       
CONECT   21   22   25                                                       
CONECT   22   23   21   15                                                  
CONECT   23   22   24    1                                                  
CONECT   24   23   25    2                                                  
CONECT   25   24   21    3                                                  
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

COMPND    HMDB0001546
HETATM    1  N1  UNL     1       5.735  -2.392   2.414  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.526  -1.867   1.775  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.401  -2.611   1.536  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.308  -1.953   0.959  1.00  0.00           C  
HETATM    5  N2  UNL     1       2.390  -0.625   0.655  1.00  0.00           N  
HETATM    6  C4  UNL     1       1.192   0.034   0.260  1.00  0.00           C  
HETATM    7  O1  UNL     1       0.909   0.299  -1.050  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.162   1.194  -0.897  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.917   1.599  -2.081  1.00  0.00           C  
HETATM   10  O2  UNL     1      -1.412   0.386  -2.659  1.00  0.00           O  
HETATM   11  P1  UNL     1      -2.733  -0.103  -1.703  1.00  0.00           P  
HETATM   12  O3  UNL     1      -3.279   0.999  -0.850  1.00  0.00           O  
HETATM   13  O4  UNL     1      -2.110  -1.377  -0.724  1.00  0.00           O  
HETATM   14  O5  UNL     1      -3.954  -0.776  -2.594  1.00  0.00           O  
HETATM   15  P2  UNL     1      -5.171  -1.197  -1.441  1.00  0.00           P  
HETATM   16  O6  UNL     1      -4.610  -1.095  -0.016  1.00  0.00           O  
HETATM   17  O7  UNL     1      -6.393  -0.059  -1.663  1.00  0.00           O  
HETATM   18  O8  UNL     1      -5.718  -2.768  -1.647  1.00  0.00           O  
HETATM   19  C7  UNL     1       0.522   2.264  -0.103  1.00  0.00           C  
HETATM   20  O9  UNL     1      -0.293   3.282   0.356  1.00  0.00           O  
HETATM   21  C8  UNL     1       1.000   1.341   1.041  1.00  0.00           C  
HETATM   22  O10 UNL     1      -0.122   1.234   1.911  1.00  0.00           O  
HETATM   23  C9  UNL     1       3.485   0.072   0.883  1.00  0.00           C  
HETATM   24  O11 UNL     1       3.567   1.326   0.585  1.00  0.00           O  
HETATM   25  N3  UNL     1       4.540  -0.562   1.438  1.00  0.00           N  
HETATM   26  H1  UNL     1       6.009  -3.348   2.242  1.00  0.00           H  
HETATM   27  H2  UNL     1       6.289  -1.749   3.037  1.00  0.00           H  
HETATM   28  H3  UNL     1       3.359  -3.660   1.783  1.00  0.00           H  
HETATM   29  H4  UNL     1       1.402  -2.517   0.712  1.00  0.00           H  
HETATM   30  H5  UNL     1       0.304  -0.594   0.622  1.00  0.00           H  
HETATM   31  H6  UNL     1      -0.865   0.713  -0.116  1.00  0.00           H  
HETATM   32  H7  UNL     1      -1.660   2.350  -1.903  1.00  0.00           H  
HETATM   33  H8  UNL     1      -0.179   1.980  -2.840  1.00  0.00           H  
HETATM   34  H9  UNL     1      -2.267  -1.237   0.225  1.00  0.00           H  
HETATM   35  H10 UNL     1      -6.451   0.062  -2.666  1.00  0.00           H  
HETATM   36  H11 UNL     1      -6.204  -2.803  -2.512  1.00  0.00           H  
HETATM   37  H12 UNL     1       1.375   2.712  -0.658  1.00  0.00           H  
HETATM   38  H13 UNL     1       0.149   3.585   1.232  1.00  0.00           H  
HETATM   39  H14 UNL     1       1.825   1.694   1.603  1.00  0.00           H  
HETATM   40  H15 UNL     1       0.213   1.412   2.851  1.00  0.00           H  
CONECT    1    2   26   27
CONECT    2    3   25   25
CONECT    3    4    4   28
CONECT    4    5   29
CONECT    5    6   23
CONECT    6    7   21   30
CONECT    7    8
CONECT    8    9   19   31
CONECT    9   10   32   33
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   34
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   35
CONECT   18   36
CONECT   19   20   21   37
CONECT   20   38
CONECT   21   22   39
CONECT   22   40
CONECT   23   24   24   25
END

HMDB0001546
     RDKit          3D
CDP
 40 41  0  0  0  0  0  0  0  0999 V2000
    5.7352   -2.3919    2.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5258   -1.8675    1.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008   -2.6114    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3075   -1.9534    0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -0.6253    0.6552 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    0.0340    0.2604 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9090    0.2990   -1.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1620    1.1936   -0.8970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9165    1.5992   -2.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4121    0.3858   -2.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -0.1030   -1.7025 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.2786    0.9986   -0.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.3773   -0.7236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9544   -0.7762   -2.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1712   -1.1975   -1.4407 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6100   -1.0945   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3931   -0.0588   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7178   -2.7679   -1.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219    2.2641   -0.1027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2928    3.2816    0.3557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    1.3411    1.0410 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1217    1.2344    1.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847    0.0718    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671    1.3258    0.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -0.5618    1.4379 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0090   -3.3480    2.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2894   -1.7489    3.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3592   -3.6597    1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022   -2.5172    0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.5940    0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    0.7132   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604    2.3502   -1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792    1.9798   -2.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2669   -1.2373    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4508    0.0617   -2.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2041   -2.8027   -2.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    2.7120   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1487    3.5846    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254    1.6938    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    1.4118    2.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  1  0
 23 24  2  0
 23 25  1  0
 25  2  2  0
 21  6  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  4 29  1  0
  6 30  1  1
  8 31  1  1
  9 32  1  0
  9 33  1  0
 13 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  1
 22 40  1  0
M  END

Synonyms

Value	Source
5'-CDP	ChEBI
Cytidine 5'-diphosphate	ChEBI
Cytidine 5'-diphosphoric acid	ChEBI
Cytidine 5'-pyrophosphate	ChEBI
Cytidine diphosphate	ChEBI
Cytidine, 5'-(trihydrogen pyrophosphate)	ChEBI
CYTIDINE-5'-diphosphATE	ChEBI
Cytidine 5'-pyrophosphoric acid	Generator
Cytidine diphosphoric acid	Generator
Cytidine, 5'-(trihydrogen pyrophosphoric acid)	Generator
CYTIDINE-5'-diphosphoric acid	Generator
Cytidine-diphosphate	HMDB
Diphosphate, cytidine	HMDB

Molecular Formula

C₉H₁₅N₃O₁₁P₂

Average Mass

403.1764

Monoisotopic Mass

403.018181361

IUPAC Name

[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

Traditional Name

CDP

CAS Registry Number

63-38-7

SMILES

NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChI Key

ZWIADYZPOWUWEW-XVFCMESISA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine ribonucleotides

Direct Parent

Pyrimidine ribonucleoside diphosphates

Alternative Parents

Substituents

Pyrimidine ribonucleoside diphosphate
Pentose-5-phosphate
Pentose phosphate
N-glycosyl compound
Glycosyl compound
Pentose monosaccharide
Organic pyrophosphate
Monosaccharide phosphate
Monoalkyl phosphate
Pyrimidone
Aminopyrimidine
Imidolactam
Alkyl phosphate
Pyrimidine
Phosphoric acid ester
Organic phosphoric acid derivative
Monosaccharide
Hydropyrimidine
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
1,2-diol
Oxacycle
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Amine
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

cytidine 5'-phosphate (CHEBI:17239 )
pyrimidine ribonucleoside 5'-diphosphate (CHEBI:17239 )
Ribonucleotides (C00112 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	10.1 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-3.3	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.78	ChemAxon
pKa (Strongest Basic)	-0.033	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	221.67 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	76.29 m³·mol⁻¹	ChemAxon
Polarizability	31.39 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-5923000000-f7e7b227d8dab9e29e4b	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00di-3209010000-ff27ee45250db3e35193	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-004i-9000000000-f5d958a3ccf576052a6b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-00di-0390000000-0274cdf4190792442001	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-0udi-0009000000-2c8a9272dc29076a6167	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-0kdi-9602700000-4b46ddc9506634a02dc5	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , positive	splash10-0a4i-0059000000-d598d99a604dda402181	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0udi-0003900000-69398917fb0c37a4304f	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0zg0-0726900000-8d967e8ca6677a467fb8	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-0k9i-0927400000-86e5ba01091f928ca88f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-0kdi-9814400000-54042f12a186a46a5a17	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-0k9i-0927400000-61338365caaf6cc96edd	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-03di-0900000000-2e5da7181d5154fd5287	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-056r-8913200000-d327869c80aa6b6ba8b7	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-056r-7913200000-4f2656e2010a4274c652	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9200000000-ae7cefa275aa112f8ff3	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0000900000-1f74a916c1bec3408d2e	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-056r-9601000000-0261d005e8d3964fc255	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-056r-8913200000-3093e23d54c628f19ea0	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0901000000-6aed044cc4135aa261df	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-3900000000-92fac6a8baf47bac3014	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-5900000000-5ad7bca4dc732a0e3840	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0903300000-44d24cfda26f8f0a8d96	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9701000000-d96a23308bcfcf9cf55f	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9100000000-d7e0d2a5e8d20180b483	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0100900000-fd8a10c051d8566d4abc	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-056r-9418200000-cd847d00773e220445dd	2021-09-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum

Biological Properties

Cellular Locations

Mitochondria
Nucleus

Biospecimen Locations

Blood
Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191679	UMP-CMP kinase	Unknown	P30085	Homo sapiens
MMDBp0191757	Ectonucleoside triphosphate diphosphohydrolase 1	Unknown	P49961	Homo sapiens
MMDBp0191758	Soluble calcium-activated nucleotidase 1	Unknown	Q8WVQ1	Homo sapiens
MMDBp0191759	Ectonucleoside triphosphate diphosphohydrolase 3	Unknown	O75355	Homo sapiens
MMDBp0191779	Nucleoside diphosphate kinase, mitochondrial	Unknown	O00746	Homo sapiens
MMDBp0191780	Ribonucleoside-diphosphate reductase large subunit	Enzyme	P23921	Homo sapiens
MMDBp0191781	Nucleoside diphosphate kinase A	Unknown	P15531	Homo sapiens
MMDBp0191782	Nucleoside diphosphate kinase 7	Unknown	Q9Y5B8	Homo sapiens
MMDBp0191783	Ribonucleoside-diphosphate reductase subunit M2	Unknown	P31350	Homo sapiens
MMDBp0191784	Nucleoside diphosphate kinase B	Unknown	P22392	Homo sapiens
MMDBp0191785	Nucleoside diphosphate kinase 3	Unknown	Q13232	Homo sapiens
MMDBp0191786	Nucleoside diphosphate kinase 6	Unknown	O75414	Homo sapiens
MMDBp0192369	6-phosphofructokinase type C	Unknown	Q01813	Homo sapiens
MMDBp0192381	6-phosphofructokinase, liver type	Unknown	P17858	Homo sapiens
MMDBp0192384	6-phosphofructokinase, muscle type	Unknown	P08237	Homo sapiens
MMDBp0192385	Pyruvate kinase isozymes M1/M2	Unknown	P14618	Homo sapiens
MMDBp0192387	Pyruvate kinase isozymes R/L	Unknown	P30613	Homo sapiens
MMDBp0192495	Ectonucleoside triphosphate diphosphohydrolase 4	Unknown	Q9Y227	Homo sapiens
MMDBp0192496	Ectonucleoside triphosphate diphosphohydrolase 6	Unknown	O75354	Homo sapiens
MMDBp0192497	Ectonucleoside triphosphate diphosphohydrolase 5	Unknown	O75356	Homo sapiens
MMDBp0192881	Polyribonucleotide nucleotidyltransferase 1, mitochondrial	Enzyme	Q8TCS8	Homo sapiens
MMDBp0194182	Ribonucleoside-diphosphate reductase subunit M2 B	Unknown	Q7LG56	Homo sapiens
MMDBp0194184	UMP-CMP kinase 2, mitochondrial	Enzyme	Q5EBM0	Homo sapiens
MMDBp0194442	Ectonucleoside triphosphate diphosphohydrolase 8	Unknown	Q5MY95	Homo sapiens
MMDBp0195533	Putative nucleoside diphosphate kinase	Unknown	O60361	Homo sapiens
MMDBp0195544	Probable 8-oxo-dGTP diphosphatase NUDT15	Unknown	Q9NV35	Homo sapiens
MMDBp0195545	Nucleoside diphosphate-linked moiety X motif 17	Unknown	P0C025	Homo sapiens
MMDBp0195546	8-oxo-dGDP phosphatase NUDT18	Unknown	Q6ZVK8	Homo sapiens
MMDBp0195551	Nucleoside diphosphate-linked moiety X motif 8, mitochondrial	Unknown	Q8WV74	Homo sapiens
MMDBp0195872	Dolichol kinase	Enzyme	Q9UPQ8	Homo sapiens
MMDBp0196531	Nucleoside diphosphate kinase	Enzyme	A2IDD0	Homo sapiens
MMDBp0196906	Nucleoside diphosphate kinase homolog 5	Unknown	P56597

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0000583	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, dGTP)	VMH	10462544 11912132
MMDBr0000584	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, dGTP), Nuclear	VMH	10462544 11912132
MMDBr0000593	Adenosine triphosphate	ADP	Cytidine monophosphate (ump-cmp) kinase 2, mitochondrial	Cytidylate Kinase (CMP), Mitochondrial	VMH	17999954
MMDBr0000594	Adenosine triphosphate	ADP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP), Nuclear	VMH	10462544 11912132
MMDBr0000596	Cytidine monophosphate	CDP	Adenylate kinase 5	Cytidylate Kinase (CMP) (GTP)	VMH	10215863
MMDBr0000597	Cytidine triphosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (dCMP, CTP), Nuclear	VMH	10462544 11912132
MMDBr0000600	Cytidine triphosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (dCMP)	VMH	10462544 11912132
MMDBr0000601	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP), Nuclear	VMH	10462544
MMDBr0000602	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, CTP)	VMH	10462544 11912132
MMDBr0000603	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, CTP), Nuclear	VMH	10462544 11912132
MMDBr0000604	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, UTP)	VMH	10462544 11912132
MMDBr0000605	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, UTP), Nuclear	VMH	10462544 11912132
MMDBr0000606	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, dATP)	VMH	10462544 11912132
MMDBr0000607	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, dATP), Nuclear	VMH	10462544 11912132
MMDBr0000608	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, dCTP)	VMH	10462544 11912132
MMDBr0000609	Cytidine monophosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	Cytidylate Kinase (CMP, dCTP), Nuclear	VMH	10462544 11912132
MMDBr0000800	Cytidine triphosphate	CDP	Not Available	Dolichol Kinase, Human (Liver)	VMH	30371894
MMDBr0000801	Cytidine triphosphate	CDP	Not Available	Dolichol Kinase, Human (Uterus)	VMH	30371894
MMDBr0001739	Adenosine triphosphate	ADP	Nme/nm23 nucleoside diphosphate kinase 4	Nucleoside-Diphosphate Kinase (ATP:CDP), Mitochondrial	VMH	30371894
MMDBr0001740	Adenosine triphosphate	ADP	Nme/nm23 nucleoside diphosphate kinase 1	Nucleoside-Diphosphate Kinase (ATP:CDP), Nuclear	VMH	30371894
MMDBr0002338	Cytidine triphosphate	CDP	Not Available	UMP Kinase (CTP)	VMH	10462544 11912132
MMDBr0002339	Cytidine triphosphate	CDP	Cytidine monophosphate (ump-cmp) kinase 1, cytosolic	UMP Kinase (CTP), Nuclear	VMH	10462544 11912132
MMDBr0002464	CDP	Cytidine monophosphate	Ectonucleoside triphosphate diphosphohydrolase 1	CDP Diphosphohydrolase	VMH	30371894
MMDBr0002467	Cytidine triphosphate	CDP	Ectonucleoside triphosphate diphosphohydrolase 1	CTP Diphosphohydrolase	VMH	30371894
MMDBr0002468	CDP	Cytidine triphosphate	Not Available	CTP:Pyruvate O2-Phosphotransferase	VMH	1009117 7154942
MMDBr0002620	Cytidine triphosphate	CDP	Phosphofructokinase, liver	CTP:D-Tagatose 6-Phosphate 1-Phosphotransferase	VMH	131802 1810251 193556 2987258 6091737
MMDBr0007500	Adenosine triphosphate	ADP	Not Available	Nucleoside-Diphosphate Kinase (ATP:CDP)	VMH	30371894
MMDBr0007744	Adenosine triphosphate	ADP	Not Available	Cytidylate Kinase (CMP)	VMH	30371894
MMDBr0008504	Cytidine triphosphate	CDP	Not Available	CTP:Sedoheptulose 7-phosphate 1-phosphotransferase	VMH	30371894
MMDBr0010665	CDP	CDP	Not Available	HMR_9019	VMH	30371894
MMDBr0010875	Adenosine monophosphate	ADP	Not Available	Adenylate kinase (CTP)	VMH	30371894
MMDBr0013027	Adenosine triphosphate	ADP	Cytidylate kinase	Phosphorylation	RHEA	34755880
MMDBr0014504	Cytidine triphosphate	CDP	Riboflavin kinase	Phosphorylation	RHEA	34755880
MMDBr0015317	alpha-D-Man-(1->4)-alpha-L-Rha-(1->3)-alpha-D-Gal-di-trans,octa-cis-undecaprenyl diphosphate	alpha-D-Abe-(1->3)-alpha-D-Man-(1->4)-alpha-L-Rha-(1->3)-alpha-D-Gal-di-trans,octa-cis-undecaprenyl diphosphate	Abequosyltransferase RfbV	Transfer of a abequosyl group	RHEA	34755880
MMDBr0015609	Cytidine triphosphate	CDP	Phytol kinase	Phosphorylation	RHEA	34755880
MMDBr0015917	DG(18:1(9Z)/18:1(9Z)/0:0)	PA(18:1(9Z)/18:1(9Z))	CTP-dependent diacylglycerol kinase 1	Phosphorylation	RHEA	34755880
MMDBr0015918	DG(18:1(9Z)/18:1(9Z)/0:0)	PA(18:1(9Z)/18:1(9Z))	CTP-dependent diacylglycerol kinase 1	Phosphorylation	RHEA	34755880
MMDBr0016719	CDPglucose	alpha,alpha-Trehalose 6-phosphate	Trehalose-6-phosphate synthase	Synthesis	RHEA	34755880
MMDBr0016800	Polyphosphate	Polyphosphate	NDP-polyphosphate phosphotransferase 1	Transfer of phosphate group	RHEA	34755880
MMDBr0018620	CDP	Water	Ribonucleoside-diphosphate reductase 1 subunit alpha	Reduction	PathBank	31602464
MMDBr0018629	CDP	Water	Ribonucleoside-diphosphate reductase 2 subunit beta	Reduction	PathBank	31602464
MMDBr0019793	CDP	Water	Ribonucleoside-diphosphate reductase large chain 1	Reduction	PathBank	31602464
MMDBr0019801	CDP	Water	Not Available		PathBank	31602464
MMDBr0019983	Cytidine triphosphate	Hydrogen Ion	CTP-dependent diacylglycerol kinase 1	Phosphorylation	PathBank	31602464
MMDBr0020029	Cytidine triphosphate	Hydrogen Ion	Dolichol kinase	Phosphorylation	PathBank	31602464
MMDBr0024332	Cytidine triphosphate	Hydrogen Ion	CTP-dependent diacylglycerol kinase 1	Phosphorylation	PathBank	31602464
MMDBr0024439	Cytidine triphosphate	Hydrogen Ion	Dolichol kinase	Phosphorylation	RHEA	34755880
MMDBr0024440	Cytidine triphosphate	Hydrogen Ion	Dolichol kinase	Phosphorylation	RHEA	34755880
MMDBr0024802	Cytidine triphosphate	Hydrogen Ion	CTP-dependent diacylglycerol kinase 1	Phosphorylation	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	417	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Cattle ; River trout ; Rat ; Sheep ; Chicken ; American dog tick	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	487	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool; Catfish	Metabolic reconstruction
Bacteria	Actinobacteria	156	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	131	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	13	Human feces; Human ; Relapsing fever tick	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	23	Human feces; Goat ; Human ; Pig	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Archaea/Archaea	Crenarchaeota	21		Metabolic reconstruction
Bacteria	Aquificae	2
Archaea/Archaea	Euryarchaeota	35		Metabolic reconstruction
Bacteria	Chlamydiae	10	Human ; Sheep ; Cat
Bacteria	Chloroflexi	3
Bacteria	Chlorobi	3
Bacteria	Deinococcus-thermus	5
Eukaryota/Fungi	Microsporidia	3
Bacteria	Thermotogae	8
Bacteria/NULL	Tenericutes	1	Human feces; Goat ; Human ; Pig	Metabolic reconstruction
Bacteria	Acidobacteria	1
Bacteria	Nitrospirae	1
Bacteria/NULL	Proteobacteria	1	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Cattle ; River trout ; Rat ; Sheep ; Chicken ; American dog tick	Unknown; Metabolic reconstruction
Bacteria	Cyanobacteria	26
Bacteria	nah	1
Archaea/Archaea	Thaumarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Spirulina	FooDB	31437929
Animal	Lota lota	FooDB	31437929
Animal	Porphyra umbilicalis	FooDB	31437929
Animal	Chondrus crispus	FooDB	31437929
Animal	Laminaria	FooDB	31437929
Animal	Haliotis	FooDB	31437929
Animal	Strombidae	FooDB	31437929
Animal	Clupea harengus harengus	FooDB	31437929
Animal	Undaria pinnatifida	FooDB	31437929
Animal	Peprilus triacanthus	FooDB	31437929
Animal	Rhodophyta	FooDB	31437929
Animal	Myoxocephalus	FooDB	31437929
Animal	Eucheuma	FooDB	31437929
Animal	Saccharina japonica	FooDB	31437929
Plant	Cirsium	FooDB	31437929
Plant	Solanum melongena	FooDB	31437929
Plant	Opuntia	FooDB	31437929
Plant	Raphanus sativus var. sativus	FooDB	31437929
Plant	Colocasia esculenta	FooDB	31437929
Plant	Prunus persica var. persica	FooDB	31437929
Plant	Anthriscus cerefolium	FooDB	31437929
Plant	Nuphar lutea	FooDB	31437929
Plant	Lupinus albus	FooDB	31437929
Plant	Myristica fragrans	FooDB	31437929
Plant	Pachyrhizus erosus	FooDB	31437929
Plant	Cichorium endivia	FooDB	31437929
Plant	Apium graveolens	FooDB	31437929
Plant	Elaeis	FooDB	31437929
Plant	Cinnamomum	FooDB	31437929
Plant	Ribes uva-crispa	FooDB	31437929
Plant	Feijoa sellowiana	FooDB	31437929
Plant	Dysphania ambrosioides	FooDB	31437929
Plant	Raphanus sativus var. niger	FooDB	31437929
Plant	Photinia melanocarpa	FooDB	31437929
Plant	Salvia officinalis	FooDB	31437929
Plant	Rheum rhabarbarum	FooDB	31437929
Plant	Vaccinium	FooDB	31437929
Plant	Lablab purpureus	FooDB	31437929
Plant	Crocus sativus	FooDB	31437929
Plant	Citrus maxima	FooDB	31437929
Plant	Syzygium jambos	FooDB	31437929
Plant	Salix pulchra	FooDB	31437929
Plant	Castanea sativa	FooDB	31437929
Plant	Cydonia oblonga	FooDB	31437929
Plant	Annona muricata	FooDB	31437929
Plant	Fagus	FooDB	31437929
Plant	Cucurbita	FooDB	31437929
Plant	Opuntia cochenillifera	FooDB	31437929
Plant	Vaccinium ovatum	FooDB	31437929
Plant	Cocos nucifera	FooDB	31437929
Plant	Phaseolus coccineus	FooDB	31437929
Plant	Thymus pulegioides	FooDB	31437929
Plant	Tamarindus indica	FooDB	31437929
Plant	Mespilus germanica	FooDB	31437929
Plant	Brassica rapa var. perviridis	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Mentha aquatica	FooDB	31437929
Plant	Salvia elegans	FooDB	31437929
Plant	Mentha	FooDB	31437929
Plant	Sagittaria latifolia	FooDB	31437929
Plant	Solanum tuberosum	FooDB	31437929
Plant	Olea europaea	FooDB	31437929
Plant	Sambucus	FooDB	31437929
Plant	Pinus	FooDB	31437929
Plant	Psidium guajava	FooDB	31437929
Plant	Syzygium cumini	FooDB	31437929
Plant	Tilia tomentosa	FooDB	31437929
Plant	Typha angustifolia	FooDB	31437929
Plant	Daucus carota	FooDB	31437929
Plant	Empetrum nigrum	FooDB	31437929
Plant	Valerianella locusta	FooDB	31437929
Plant	Myrica rubra	FooDB	31437929
Plant	Vaccinium vitis-idaea	FooDB	31437929
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant	Sisymbrium	FooDB	31437929
Plant	Vanilla	FooDB	31437929
Plant	Carya	FooDB	31437929
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant	Physalis philadelphica var. immaculata	FooDB	31437929
Plant	Vigna radiata	FooDB	31437929
Plant	Borago officinalis	FooDB	31437929
Plant	Raphanus sativus	FooDB	31437929
Plant	Prunus dulcis	FooDB	31437929
Plant	Hyssopus officinalis	FooDB	31437929
Plant	Manihot esculenta	FooDB	31437929
Plant	Beta vulgaris ssp. cicla	FooDB	31437929
Plant	Scorzonera hispanica	FooDB	31437929
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant	Angelica keiskei	FooDB	31437929
Plant	Ipomoea aquatica	FooDB	31437929
Plant	Musa x paradisiaca	FooDB	31437929
Plant	Cuminum cyminum	FooDB	31437929
Plant	Rubus spectabilis	FooDB	31437929
Plant	Allium sativum	FooDB	31437929
Plant	Arachis hypogaea	FooDB	31437929
Plant	Rubus idaeus	FooDB	31437929
Plant	Cantharellus cibarius	FooDB	31437929
Plant	Sinapis alba	FooDB	31437929
Plant	Fragaria x ananassa	FooDB	31437929
Plant	Pyrus communis	FooDB	31437929
Plant	Brassica ruvo	FooDB	31437929
Plant	Apium graveolens var. secalinum	FooDB	31437929
Plant	Morus nigra	FooDB	31437929
Plant	Solanum lycopersicum	FooDB	31437929
Plant	Abelmoschus esculentus	FooDB	31437929
Plant	Moringa oleifera	FooDB	31437929
Plant	Pinus edulis	FooDB	31437929
Plant	Passiflora edulis	FooDB	31437929
Plant	Opuntia macrorhiza	FooDB	31437929
Plant	Vigna angularis	FooDB	31437929
Plant	Manilkara zapota	FooDB	31437929
Plant	Cucurbita pepo var. clypeata	FooDB	31437929
Plant	Helianthus annuus	FooDB	31437929
Plant	Mentha spicata	FooDB	31437929
Plant	Corylus	FooDB	31437929
Plant	Malus	FooDB	31437929
Plant	Pisum sativum	FooDB	31437929
Plant	Sambucus nigra	FooDB	31437929
Plant	Allium cepa	FooDB	31437929
Plant	Juglans	FooDB	31437929
Plant	Mangifera indica	FooDB	31437929
Plant	Petroselinum crispum	FooDB	31437929
Plant	Ribes nigrum	FooDB	31437929
Plant	Zingiber officinale	FooDB	31437929
Plant	Chamaemelum nobile	FooDB	31437929
Plant	Illicium verum	FooDB	31437929
Plant		FooDB	31437929
Plant	Laurus nobilis	FooDB	31437929
Plant	Auricularia auricula-judae	FooDB	31437929
Plant	Attalea speciosa	FooDB	31437929
Plant	Juglans ailanthifolia	FooDB	31437929
Plant	Melissa officinalis	FooDB	31437929
Plant	Hippophae rhamnoides	FooDB	31437929
Plant	Polygonum alpinum	FooDB	31437929
Plant	Brassica juncea	FooDB	31437929
Plant	Pediomelum esculentum	FooDB	31437929
Plant	Spinacia oleracea	FooDB	31437929
Plant	Auricularia polytricha	FooDB	31437929
Plant	Camellia oleifera	FooDB	31437929
Plant	Vaccinium corymbosum	FooDB	31437929
Plant	Chrysanthemum coronarium	FooDB	31437929
Plant	Eleocharis dulcis	FooDB	31437929
Plant	Thymus vulgaris	FooDB	31437929
Plant	Actinidia chinensis	FooDB	31437929
Plant	Carica papaya	FooDB	31437929
Plant	Pimenta dioica	FooDB	31437929
Plant	Medicago sativa	FooDB	31437929
Plant	Vigna mungo	FooDB	31437929
Plant	Rubus arcticus	FooDB	31437929
Plant	Agaricus bisporus	FooDB	31437929
Plant	Cajanus cajan	FooDB	31437929
Plant	Rumex articus	FooDB	31437929
Plant	Origanum majorana	FooDB	31437929
Plant	Armoracia rusticana	FooDB	31437929
Plant	Hibiscus sabdariffa	FooDB	31437929
Plant	Benincasa hispida	FooDB	31437929
Plant	Prunus persica	FooDB	31437929
Plant	Canarium ovatum	FooDB	31437929
Plant	Ribes aureum var. villosum	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Brassica oleracea var. gemmifera	FooDB	31437929
Plant	Foeniculum vulgare	FooDB	31437929
Plant	Phoenix dactylifera	FooDB	31437929
Plant	Vaccinium macrocarpon	FooDB	31437929
Plant		FooDB	31437929
Plant	Arctium lappa	FooDB	31437929
Plant	Brassica oleracea var. gongylodes	FooDB	31437929
Plant	Juglans cinerea	FooDB	31437929
Plant	Prunus cerasus	FooDB	31437929
Plant	Eruca vesicaria ssp. sativa	FooDB	31437929
Plant	Rosmarinus officinalis	FooDB	31437929
Plant	Artocarpus altilis	FooDB	31437929
Plant	Citrus x paradisi	FooDB	31437929
Plant	Vigna unguiculata	FooDB	31437929
Plant	Cynara scolymus	FooDB	31437929
Plant	Cyathea	FooDB	31437929
Plant	Metroxylon sagu	FooDB	31437929
Plant	Vitis rotundifolia	FooDB	31437929
Plant	Brosimum alicastrum	FooDB	31437929
Plant	Ficus carica	FooDB	31437929
Plant	Lentinus edodes	FooDB	31437929
Plant	Psidium cattleianum	FooDB	31437929
Plant	Beta vulgaris var. rubra	FooDB	31437929
Plant	Castanea mollissima	FooDB	31437929
Plant	Lepidium sativum	FooDB	31437929
Plant	Morus	FooDB	31437929
Plant	Helianthus tuberosus	FooDB	31437929
Plant	Phytolacca americana	FooDB	31437929
Plant	Grifola frondosa	FooDB	31437929
Plant	Vitis labrusca	FooDB	31437929
Plant	Tetragonia tetragonioides	FooDB	31437929
Plant	Artemisia vulgaris	FooDB	31437929
Plant	Cucumis metuliferus	FooDB	31437929
Plant	Nephelium lappaceum	FooDB	31437929
Plant	Myrica	FooDB	31437929
Plant		FooDB	31437929
Plant	Corylus avellana	FooDB	31437929
Plant	Castanea crenata	FooDB	31437929
Plant	Litchi chinensis	FooDB	31437929
Plant	Juglans regia	FooDB	31437929
Plant	Quercus	FooDB	31437929
Plant	Trigonella foenum-graecum	FooDB	31437929
Plant	Vaccinium angustifolium	FooDB	31437929
Plant	Malpighia emarginata	FooDB	31437929
Plant	Physalis	FooDB	31437929
Plant	Brassica oleracea var. sabauda	FooDB	31437929
Plant	Thelesperma	FooDB	31437929
Plant	Brassica napus	FooDB	31437929
Plant	Asparagus officinalis	FooDB	31437929
Plant	Chamerion angustifolium	FooDB	31437929
Plant	Levisticum officinale	FooDB	31437929
Plant	Pimpinella anisum	FooDB	31437929
Plant	Vaccinium elliottii	FooDB	31437929
Plant	Artemisia dracunculus	FooDB	31437929
Plant	Matricaria recutita	FooDB	31437929
Plant	Citrus aurantiifolia	FooDB	31437929
Plant	Ziziphus zizyphus	FooDB	31437929
Plant	Lactuca sativa	FooDB	31437929
Plant	Dimocarpus longan	FooDB	31437929
Plant	Eragrostis tef	FooDB	31437929
Plant	Salvia hispanica	FooDB	31437929
Plant	Pistacia vera	FooDB	31437929
Plant	Cynara cardunculus	FooDB	31437929
Plant	Vitellaria paradoxa	FooDB	31437929
Plant	Pangium edule	FooDB	31437929
Plant	Malus pumila	FooDB	31437929
Plant	Allium	FooDB	31437929
Plant	Brassica oleracea var. viridis	FooDB	31437929
Plant	Punica granatum	FooDB	31437929
Plant	Agave	FooDB	31437929
Plant	Hedysarum alpinum	FooDB	31437929
Plant	Diospyros	FooDB	31437929
Plant		FooDB	31437929
Plant	Vigna aconitifolia	FooDB	31437929
Plant	Amaranthus	FooDB	31437929
Plant	Gossypium	FooDB	31437929
Plant	Beta vulgaris	FooDB	31437929
Plant	Mammea americana	FooDB	31437929
Plant	Brassica alboglabra	FooDB	31437929
Plant	Annona squamosa	FooDB	31437929
Plant	Apium graveolens var. dulce	FooDB	31437929
Plant	Vitis	FooDB	31437929
Plant	Xanthosoma sagittifolium	FooDB	31437929
Plant	Basella alba	FooDB	31437929
Plant	Cucumis sativus	FooDB	31437929
Plant	Citrus latifolia	FooDB	31437929
Plant	Carya illinoinensis	FooDB	31437929
Plant	Capsicum baccatum var. baccatum	FooDB	31437929
Plant	Byrsonima crassifolia	FooDB	31437929
Plant	Capsicum pubescens	FooDB	31437929
Plant	Cinnamomum aromaticum	FooDB	31437929
Plant	Ribes rubrum	FooDB	31437929
Plant	Crateva religiosa	FooDB	31437929
Plant		FooDB	31437929
Plant	Vitis aestivalis	FooDB	31437929
Plant	Brassica rapa var. chinensis	FooDB	31437929
Plant	Eugenia javanica	FooDB	31437929
Plant	Portulaca oleracea	FooDB	31437929
Plant	Ipomoea batatas	FooDB	31437929
Plant	Mentha arvensis	FooDB	31437929
Plant	Pastinaca sativa	FooDB	31437929
Plant	Cucurbita maxima	FooDB	31437929
Plant	Vaccinium stamineum	FooDB	31437929
Plant	Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant	Chenopodium album	FooDB	31437929
Plant	Psophocarpus tetragonolobus	FooDB	31437929
Plant	Allium ampeloprasum	FooDB	31437929
Plant	Brassica oleracea	FooDB	31437929
Plant	Sechium edule	FooDB	31437929
Plant	Lactuca sativa l. var. longifolia	FooDB	31437929
Plant	Grataegosorbus mitschurinii	FooDB	31437929
Plant	Diospyros virginiana	FooDB	31437929
Plant	Origanum x majoricum	FooDB	31437929
Plant	Rubus x loganobaccus	FooDB	31437929
Plant	Tragopogon porrifolius	FooDB	31437929
Plant	Taraxacum officinale	FooDB	31437929
Plant	Rumex	FooDB	31437929
Plant	Allium ascalonicum	FooDB	31437929
Plant	Curcuma longa	FooDB	31437929
Plant	Rubus chamaemorus	FooDB	31437929
Plant	Elettaria cardamomum	FooDB	31437929
Plant	Citrullus lanatus var. fistulosus	FooDB	31437929
Plant	Ananas comosus	FooDB	31437929
Plant	Persea americana	FooDB	31437929
Plant	Amelanchier alnifolia	FooDB	31437929
Plant	Eugenia uniflora	FooDB	31437929
Plant	Annona reticulata	FooDB	31437929
Plant	Cichorium intybus	FooDB	31437929
Plant	Sesbania bispinosa	FooDB	31437929
Plant	Chenopodium quinoa	FooDB	31437929
Plant	Brassica oleracea var. botrytis	FooDB	31437929
Plant	Ribes x nidigrolaria	FooDB	31437929
Plant	Garcinia mangostana	FooDB	31437929
Plant	Cucumis melo	FooDB	31437929
Plant	Dioscorea pentaphylla	FooDB	31437929
Plant	Corchorus olitorius	FooDB	31437929
Plant	Juglans nigra	FooDB	31437929
Plant	Lathyrus sativus	FooDB	31437929
Plant	Allium tuberosum	FooDB	31437929
Plant	Cinnamomum verum	FooDB	31437929
Plant	Glycine max	FooDB	31437929
Plant	Gaylussacia baccata	FooDB	31437929
Plant	Petasites japonicus	FooDB	31437929
Plant	Prunus tomentosa	FooDB	31437929
Plant	Ocimum basilicum	FooDB	31437929
Plant	Mentha x piperita	FooDB	31437929
Plant	Maranta arundinacea	FooDB	31437929
Plant	Matteuccia struthiopteris	FooDB	31437929
Plant	Cucurbita moschata	FooDB	31437929
Plant	Macadamia	FooDB	31437929
Plant	Tilia	FooDB	31437929
Plant	Citrus limon	FooDB	31437929
Plant	Vaccinium myrtilloides	FooDB	31437929
Plant	Capsicum annuum var. annuum	FooDB	31437929
Plant	Apium graveolens var. rapaceum	FooDB	31437929
Plant	Papaver	FooDB	31437929
Plant	Rosa	FooDB	31437929
Plant	Nelumbo	FooDB	31437929
Plant	Brassica oleracea var. conica	FooDB	31437929
Plant	Sesamum orientale	FooDB	31437929
Plant	Annona cherimola	FooDB	31437929
Plant	Brassica rapa var. pekinensis	FooDB	31437929
Plant	Brassica rapa	FooDB	31437929
Plant	Lippia graveolens	FooDB	31437929
Plant	Prunus	FooDB	31437929
Plant	Capparis spinosa	FooDB	31437929
Plant	Citrus sinensis	FooDB	31437929
Plant	Lens culinaris	FooDB	31437929
Plant	Vaccinium deliciosum	FooDB	31437929
Plant	Phaseolus lunatus	FooDB	31437929
Plant	Artocarpus heterophyllus	FooDB	31437929
Plant	Prunus virginiana	FooDB	31437929
Plant	Musa acuminata	FooDB	31437929
Plant	Citrullus lanatus	FooDB	31437929
Plant	Linum usitatissimum	FooDB	31437929
Plant	Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant	Macadamia tetraphylla	FooDB	31437929
Plant	Phyllostachys edulis	FooDB	31437929
Plant	Lagenaria siceraria	FooDB	31437929
Plant	Prunus domestica	FooDB	31437929
Plant	Prunus armeniaca	FooDB	31437929
Plant	Carum carvi	FooDB	31437929
Plant	Allium schoenoprasum	FooDB	31437929
Plant	Carissa macrocarpa	FooDB	31437929
Plant	Citrus reticulata	FooDB	31437929
Plant	Satureja hortensis	FooDB	31437929
Plant	Averrhoa carambola	FooDB	31437929
Plant	Brassica rapa var. rapa	FooDB	31437929
Plant	Sorbus aucuparia	FooDB	31437929
Plant	Anethum graveolens	FooDB	31437929
Plant	Nelumbo nucifera	FooDB	31437929
Plant	Coriandrum sativum	FooDB	31437929
Plant	Bertholletia excelsa	FooDB	31437929
Plant	Brassica oleracea var. costata	FooDB	31437929
Plant	Panax	FooDB	31437929
Plant	Ceratonia siliqua	FooDB	31437929
Plant	Cymbopogon citratus	FooDB	31437929
Plant	Luffa aegyptiaca	FooDB	31437929
Plant	Anacardium occidentale	FooDB	31437929
Plant	Carthamus tinctorius	FooDB	31437929
Plant	Rubus occidentalis	FooDB	31437929
Plant	Vigna umbellata	FooDB	31437929
Plant	Cicer arietinum	FooDB	31437929
Plant	Allium fistulosum	FooDB	31437929
Plant	Capsicum	FooDB	31437929
Plant	Vaccinium alaskaense	FooDB	31437929
Plant	Lupinus	FooDB	31437929
Plant	Tilia cordata	FooDB	31437929
Plant	Camellia sinensis	FooDB	31437929
Plant	Prunus persica var. nucipersica	FooDB	31437929
Plant	Durio zibethinus	FooDB	31437929
Plant	Eriobotrya japonica	FooDB	31437929
Plant	Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant	Brassica napus var. pabularia	FooDB	31437929
Plant	Oenothera biennis	FooDB	31437929
Plant	Diospyros kaki	FooDB	31437929
Plant	Ribes glandulosum	FooDB	31437929
Plant	Phaseolus vulgaris	FooDB	31437929
Plant	Theobroma cacao	FooDB	31437929
Plant	Virola surinamensis	FooDB	31437929
Plant	Verbena officinalis	FooDB	31437929
Plant	Daucus carota ssp. sativus	FooDB	31437929
Plant	Vaccinium oxycoccos	FooDB	31437929
Plant	Rumex acetosa	FooDB	31437929
Plant	Syzygium aromaticum	FooDB	31437929
Plant	Pyrus pyrifolia	FooDB	31437929
Plant	Vaccinium myrtillus	FooDB	31437929
Plant	Vaccinium parvifolium	FooDB	31437929
Plant	Aloysia triphylla	FooDB	31437929
Plant	Brassica oleracea var. capitata	FooDB	31437929
Plant	Capsicum chinense	FooDB	31437929
Plant	Vicia faba	FooDB	31437929
Plant	Vaccinium reticulatum	FooDB	31437929
Plant	Solanum quitoense	FooDB	31437929
Plant	Ginkgo biloba	FooDB	31437929
Plant	Theobroma grandiflorum	FooDB	31437929
Plant	Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant	Flammulina velutipes	FooDB	31437929
Plant	Satureja montana	FooDB	31437929
Plant		FooDB	31437929
Plant	Vitis vinifera	FooDB	31437929
Plant	Citrus japonica	FooDB	31437929
Plant	Prunus avium	FooDB	31437929
Plant	Perideridia oregana	FooDB	31437929
Plant	Vaccinium arboreum	FooDB	31437929
Plant	Pouteria sapota	FooDB	31437929
Plant	Wasabia japonica	FooDB	31437929
Plant	Piper nigrum	FooDB	31437929
Plant	Origanum onites	FooDB	31437929
Plant	Capsicum annuum	FooDB	31437929
Plant	Origanum vulgare	FooDB	31437929
Plant	Viburnum edule	FooDB	31437929
Plant	Dioscorea	FooDB	31437929
Plant	Brassica oleracea var. italica	FooDB	31437929
Plant	Momordica charantia	FooDB	31437929
Plant	Vaccinium uliginosum	FooDB	31437929
Plant	Castanea	FooDB	31437929
Plant	Rubus ursinus x idaeus	FooDB	31437929
Plant	Pleurotus ostreatus	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	36.0	12.0			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.

External Links

HMDB ID

HMDB0001546

DrugBank ID

DB04555

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022683

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

17239

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Lindblad L, Schersten T: Incorporation rate in vitro of choline and methyl-methionine into human hepatic lecithins. Scand J Gastroenterol. 1976;11(6):587-91. [PubMed:981963 ]
George TP, Cook HW, Byers DM, Palmer FB, Spence MW: Inhibition of phosphatidylcholine and phosphatidylethanolamine biosynthesis by cytochalasin B in cultured glioma cells: potential regulation of biosynthesis by Ca(2+)-dependent mechanisms. Biochim Biophys Acta. 1991 Jul 9;1084(2):185-93. doi: 10.1016/0005-2760(91)90219-8. [PubMed:1854804 ]
George TP, Morash SC, Cook HW, Byers DM, Palmer FB, Spence MW: Phosphatidylcholine biosynthesis in cultured glioma cells: evidence for channeling of intermediates. Biochim Biophys Acta. 1989 Aug 22;1004(3):283-91. doi: 10.1016/0005-2760(89)90075-1. [PubMed:2758024 ]
Tsitolovskii LE, Kraevskii AA: [Possible relation between learning and non-template RNA synthesis in neurons]. Zh Vyssh Nerv Deiat Im I P Pavlova. 1982 Mar-Apr;32(2):284-91. [PubMed:6178232 ]
Carstensen S, Pliska-Matyshak G, Bhuvarahamurthy N, Robbins KM, Murthy PP: Biosynthesis and localization of phosphatidyl-scyllo-inositol in barley aleurone cells. Lipids. 1999 Jan;34(1):67-73. doi: 10.1007/s11745-999-339-y. [PubMed:10188599 ]
Nowicki M, Muller F, Frentzen M: Cardiolipin synthase of Arabidopsis thaliana. FEBS Lett. 2005 Apr 11;579(10):2161-5. doi: 10.1016/j.febslet.2005.03.007. [PubMed:15811335 ]
Houtkooper RH, Akbari H, van Lenthe H, Kulik W, Wanders RJ, Frentzen M, Vaz FM: Identification and characterization of human cardiolipin synthase. FEBS Lett. 2006 May 29;580(13):3059-64. doi: 10.1016/j.febslet.2006.04.054. Epub 2006 Apr 27. [PubMed:16678169 ]
Riekhof WR, Voelker DR: Uptake and utilization of lyso-phosphatidylethanolamine by Saccharomyces cerevisiae. J Biol Chem. 2006 Dec 1;281(48):36588-96. doi: 10.1074/jbc.M608851200. Epub 2006 Oct 2. [PubMed:17015438 ]
Houtkooper RH, Vaz FM: Cardiolipin, the heart of mitochondrial metabolism. Cell Mol Life Sci. 2008 Aug;65(16):2493-506. doi: 10.1007/s00018-008-8030-5. [PubMed:18425414 ]

Showing metabocard for CDP (MMDBc0029668)

MOL for #<Metabolite:0x00007f5a98cb9770>

3D MOL for #<Metabolite:0x00007f5a98cb9770>

3D SDF for #<Metabolite:0x00007f5a98cb9770>

3D-SDF for #<Metabolite:0x00007f5a98cb9770>

PDB for #<Metabolite:0x00007f5a98cb9770>

3D PDB for #<Metabolite:0x00007f5a98cb9770>

SMILES for #<Metabolite:0x00007f5a98cb9770>

INCHI for #<Metabolite:0x00007f5a98cb9770>

Structure for #<Metabolite:0x00007f5a98cb9770>

3D Structure for #<Metabolite:0x00007f5a98cb9770>