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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (32) Show 32 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:48:15 UTC

HMDB ID

HMDB0001546

Secondary Accession Numbers

HMDB01546

Metabolite Identification

Common Name

CDP

Description

Cytidine diphosphate, abbreviated CDP, and also known as 5'-CDP, belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety. It is a cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. CDP exists in all living species, ranging from bacteria to humans. In humans, CDP is involved in cardiolipin biosynthesis. Outside of the human body, CDP has been detected, but not quantified in several different foods, such as carobs, mexican oregano, evergreen huckleberries, green vegetables, and pepper (Capsicum baccatum).

Structure

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

     RDKit          3D

 40 41  0  0  0  0  0  0  0  0999 V2000
   -6.2891    0.5525   -1.5438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9778    0.7019   -0.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5125   -0.2498   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2636   -0.1387    0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757    0.9184    0.0945 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1737    1.0651    0.6392 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1867    0.4638   -0.1376 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091    0.0270    0.6995 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6381   -1.0430    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1909   -0.4777   -1.1147 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1526   -1.5791   -1.9679 P   0  0  2  0  0  5  0  0  0  0  0  0
    3.1741   -1.2498   -3.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4719   -3.1121   -1.7546 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7258   -1.6355   -1.3532 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3673   -0.0903   -1.1409 P   0  0  2  0  0  5  0  0  0  0  0  0
    6.8099   -0.0053   -1.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2785    0.2608    0.5256 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4781    1.0468   -2.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.5441    1.8676 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8030   -0.6925    2.9968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130    0.5666    2.0431 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3900    1.5277    2.8717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9493    1.8440   -0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597    2.8588   -1.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801    1.7321   -1.2928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8631    1.3554   -1.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7025   -0.3955   -1.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1091   -1.1057    0.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8346   -0.8507    1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9223    2.1581    0.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4411    0.8314    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -1.4354    0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9949   -1.8940   -0.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380   -3.5370   -0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5671    1.2070    0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040    1.4253   -1.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4702   -1.4970    1.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450   -1.6304    3.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9225    0.2684    2.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2168    2.3526    2.3722 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
 11 10  1  1
 11 12  2  0
 11 13  1  0
 11 14  1  0
 15 14  1  1
 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>
HMDB0001546

> <DATABASE_NAME>
hmdb

> <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

$$$$

https://cactus.nci.nih.gov/chemical/structure/NC1=NC(=O)N(C=C1)%5BC@@H%5D1O%5...
 OpenBabel09142113213D
Jmol version 14.31.45  2021-07-21 05:08 EXTRACT: ({0:39})
 40 41  0  0  0  0  0  0  0  0999 V2000
   -5.8272    3.7216   -0.5342 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0749    2.6247   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2760    2.0510   -1.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5428    0.9889   -0.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8155    0.4797   -1.5808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5909    0.4687    0.4958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3971    1.0233    1.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1442    2.1071    1.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7728   -0.7002    0.8279 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8530   -0.9291    1.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939   -0.4680    0.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8017   -1.7810    0.3611 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5795   -2.1776    1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -1.7250   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4649   -0.9588    0.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9338   -0.6924   -0.4067 P   0  0  1  0  0  0  0  0  0  0  0  0
    3.7304   -2.0872   -0.5157 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126   -0.0869   -1.7518 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378    0.3107    0.5628 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0175    1.2681    0.3683 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5628    2.6303   -0.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6523    1.6143    1.8068 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0282    0.5777   -0.4637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772   -2.6443   -0.3351 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7043   -2.6757   -1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8869   -3.9660    0.2082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2056   -1.9177   -0.0187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6896   -1.5890   -0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0771   -2.7700    0.7272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7743    4.0778   -1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4135    4.1364    0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4362    0.6059    2.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7900    2.5626    1.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416   -2.7365   -0.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476   -1.2582   -1.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471   -2.5406    0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9001    3.1358    0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    2.1889    1.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5440   -4.5513   -0.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3304   -3.5784    0.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  6  0  0  0
 16 19  1  0  0  0  0
 17 36  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 39  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 40  1  0  0  0  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    https://cactus.nci.nih.gov/chemical/structure/NC1=NC(=O)N(C=C1)%5BC@@H%5D1O%5... 
AUTHOR    GENERATED BY OPEN BABEL 3.1.0
HETATM    1  N   UNL     1      -5.827   3.722  -0.534  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.075   2.625  -0.183  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.276   2.051  -1.073  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.543   0.989  -0.744  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.816   0.480  -1.581  1.00  0.00           O  
HETATM    6  N   UNL     1      -3.591   0.469   0.496  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.397   1.023   1.444  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.144   2.107   1.127  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.773  -0.700   0.828  1.00  0.00           C  
HETATM   10  H   UNL     1      -2.853  -0.929   1.891  1.00  0.00           H  
HETATM   11  O   UNL     1      -1.394  -0.468   0.466  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.802  -1.781   0.361  1.00  0.00           C  
HETATM   13  H   UNL     1      -0.580  -2.178   1.352  1.00  0.00           H  
HETATM   14  C   UNL     1       0.471  -1.725  -0.487  1.00  0.00           C  
HETATM   15  O   UNL     1       1.465  -0.959   0.196  1.00  0.00           O  
HETATM   16  P   UNL     1       2.934  -0.692  -0.407  1.00  0.00           P  
HETATM   17  O   UNL     1       3.730  -2.087  -0.516  1.00  0.00           O  
HETATM   18  O   UNL     1       2.813  -0.087  -1.752  1.00  0.00           O  
HETATM   19  O   UNL     1       3.738   0.311   0.563  1.00  0.00           O  
HETATM   20  P   UNL     1       5.018   1.268   0.368  1.00  0.00           P  
HETATM   21  O   UNL     1       4.563   2.630  -0.360  1.00  0.00           O  
HETATM   22  O   UNL     1       5.652   1.614   1.807  1.00  0.00           O  
HETATM   23  O   UNL     1       6.028   0.578  -0.464  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.877  -2.644  -0.335  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.704  -2.676  -1.411  1.00  0.00           H  
HETATM   26  O   UNL     1      -1.887  -3.966   0.208  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.206  -1.918  -0.019  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.690  -1.589  -0.938  1.00  0.00           H  
HETATM   29  O   UNL     1      -4.077  -2.770   0.727  1.00  0.00           O  
HETATM   30  H   UNL     1      -5.774   4.078  -1.435  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.413   4.136   0.118  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.436   0.606   2.439  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.790   2.563   1.863  1.00  0.00           H  
HETATM   34  H   UNL     1       0.842  -2.736  -0.652  1.00  0.00           H  
HETATM   35  H   UNL     1       0.248  -1.258  -1.446  1.00  0.00           H  
HETATM   36  H   UNL     1       3.847  -2.541   0.330  1.00  0.00           H  
HETATM   37  H   UNL     1       3.900   3.136   0.131  1.00  0.00           H  
HETATM   38  H   UNL     1       6.429   2.189   1.766  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.544  -4.551  -0.193  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.330  -3.578   0.261  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    1    3    3    8                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7    9                                            
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    2   33                                       
CONECT    9    6   10   11   27                                       
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   14   24                                       
CONECT   13   12                                                      
CONECT   14   12   15   34   35                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   18   18                                       
CONECT   16   19                                                      
CONECT   17   16   36                                                 
CONECT   18   16   16                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   22   23                                       
CONECT   20   23                                                      
CONECT   21   20   37                                                 
CONECT   22   20   38                                                 
CONECT   23   20   20                                                 
CONECT   24   12   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24   39                                                 
CONECT   27   24   28    9   29                                       
CONECT   28   27                                                      
CONECT   29   27   40                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   26                                                      
CONECT   40   29                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END

https://cactus.nci.nih.gov/chemical/structure/NC1=NC(=O)N(C=C1)%5BC@@H%5D1O%5...
 OpenBabel09142113213D
Jmol version 14.31.45  2021-07-21 05:08 EXTRACT: ({0:39})
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M  END
$$$$

View in JSmol View Stereo Labels

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

Chemical Formula

C₉H₁₅N₃O₁₁P₂

Average Molecular Weight

403.1764

Monoisotopic Molecular Weight

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 )

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Biological:

Plant:

Animal

Biological location:

Biofluid and excreta:

Blood

Subcellular:

Process

Naturally occurring process:

Biological process:

Biochemical pathway:

Role

Industrial application:

Pharmaceutical industry:

Pharmaceutical

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	2.44	HANSCH,C ET AL. (1995)

Predicted Molecular 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

Predicted Spectral Properties

Collision Cross Sections

Name	Adduct	Type	Data Source	Value	Reference
AllCCS	[M-H]-	Experimental	Not Available	173.2	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000129
AllCCS	[M+H]+	Experimental	Not Available	175.5	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000129
DarkChem	[M+H]+	Predicted	Not Available	188.185	31661259
DarkChem	[M-H]-	Predicted	Not Available	179.163	31661259
AllCCS	[M+H]+	Predicted	Not Available	182.289	32859911
AllCCS	[M-H]-	Predicted	Not Available	175.187	32859911

Retention Indices

Underivatized

Not Available

Derivatized

Derivative	Value	Reference
CDP,1TMS,#1	3359.9448	https://arxiv.org/abs/1905.12712
CDP,1TMS,#2	3350.5986	https://arxiv.org/abs/1905.12712
CDP,1TMS,#3	3425.7322	https://arxiv.org/abs/1905.12712
CDP,1TMS,#4	3419.774	https://arxiv.org/abs/1905.12712
CDP,1TMS,#5	3416.6506	https://arxiv.org/abs/1905.12712
CDP,2TMS,#1	3264.4084	https://arxiv.org/abs/1905.12712
CDP,2TMS,#2	3336.7183	https://arxiv.org/abs/1905.12712
CDP,2TMS,#3	3325.3337	https://arxiv.org/abs/1905.12712
CDP,2TMS,#4	3354.5505	https://arxiv.org/abs/1905.12712
CDP,2TMS,#5	3326.7383	https://arxiv.org/abs/1905.12712
CDP,2TMS,#6	3320.0098	https://arxiv.org/abs/1905.12712
CDP,2TMS,#7	3350.4312	https://arxiv.org/abs/1905.12712
CDP,2TMS,#8	3381.4404	https://arxiv.org/abs/1905.12712
CDP,2TMS,#9	3423.1567	https://arxiv.org/abs/1905.12712
CDP,2TMS,#10	3385.8767	https://arxiv.org/abs/1905.12712
CDP,2TMS,#11	3408.299	https://arxiv.org/abs/1905.12712
CDP,2TMS,#12	3387.1648	https://arxiv.org/abs/1905.12712
CDP,1TBDMS,#1	3619.4607	https://arxiv.org/abs/1905.12712
CDP,1TBDMS,#2	3611.2908	https://arxiv.org/abs/1905.12712
CDP,1TBDMS,#3	3669.3994	https://arxiv.org/abs/1905.12712
CDP,1TBDMS,#4	3662.0317	https://arxiv.org/abs/1905.12712
CDP,1TBDMS,#5	3696.1543	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#1	3717.0176	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#2	3770.895	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#3	3764.6733	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#4	3831.8545	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#5	3774.2788	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#6	3769.044	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#7	3833.1843	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#8	3791.6404	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#9	3894.5298	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#10	3795.0583	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#11	3903.3367	https://arxiv.org/abs/1905.12712
CDP,2TBDMS,#12	3805.3762	https://arxiv.org/abs/1905.12712

Spectra

GC-MS

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

LC-MS/MS

Spectrum Type	Description	Splash Key	Deposition Date	View
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
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	2021-09-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-056r-9418200000-cd847d00773e220445dd	2021-09-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-3c30eca427739e8baa57	2021-09-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0900300000-df9ebc22e94c83b4b7b2	2021-09-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-0930000000-f61730b7c53d917406d7	2021-09-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dj-4900000000-c7d5d2abb6e541f5116e	2021-09-08	View Spectrum

NMR

Spectrum Type	Description	Deposition Date	View
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

Tissue Locations

Not Available

Pathways

Name	SMPDB/Pathwhiz	KEGG
Pyrimidine Metabolism
Beta Ureidopropionase Deficiency		Not Available
UMP Synthase Deficiency (Orotic Aciduria)		Not Available
Dihydropyrimidinase Deficiency		Not Available
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	36.0 +/- 12.0 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

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

VMH ID

CDP

MarkerDB ID

Not Available

References

Synthesis Reference

Chambers, Robert Warner; Shapiro, Philip; Kurkov, Viktor. Synthesis of cytidine 5'-diphosphate and guanosine 5'-diphosphate. Journal of the American Chemical Society (1960), 82 970-5.

Material Safety Data Sheet (MSDS)

Not Available

General References

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. [PubMed:1854804 ]
Riekhof WR, Voelker DR: Uptake and utilization of lyso-phosphatidylethanolamine by Saccharomyces cerevisiae. J Biol Chem. 2006 Dec 1;281(48):36588-96. Epub 2006 Oct 2. [PubMed:17015438 ]
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 ]
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. Epub 2006 Apr 27. [PubMed:16678169 ]
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. [PubMed:10188599 ]
Nowicki M, Muller F, Frentzen M: Cardiolipin synthase of Arabidopsis thaliana. FEBS Lett. 2005 Apr 11;579(10):2161-5. [PubMed:15811335 ]
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. [PubMed:2758024 ]
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 ]
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 ]

Only showing the first 10 proteins. There are 32 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. UMP-CMP kinase

General function:: Involved in ATP binding
Specific function:: Catalyzes specific phosphoryl transfer from ATP to UMP and CMP.
Gene Name:: CMPK1
Uniprot ID:: P30085
Molecular weight:: 20180.12

Reactions

Adenosine triphosphate + Cytidine monophosphate → ADP + CDP	details

Enzyme Details

2. Ectonucleoside triphosphate diphosphohydrolase 1

General function:: Involved in hydrolase activity
Specific function:: In the nervous system, could hydrolyze ATP and other nucleotides to regulate purinergic neurotransmission. Could also be implicated in the prevention of platelet aggregation by hydrolyzing platelet-activating ADP to AMP. Hydrolyzes ATP and ADP equally well.
Gene Name:: ENTPD1
Uniprot ID:: P49961
Molecular weight:: 58706.0

Reactions

CDP + Water → Cytidine monophosphate + Phosphate	details
Cytidine triphosphate + Water → CDP + Phosphate	details

Enzyme Details

3. Soluble calcium-activated nucleotidase 1

General function:: Involved in calcium ion binding
Specific function:: Calcium-dependent nucleotidase with a preference for UDP. The order of activity with different substrates is UDP > GDP > UTP > GTP. Has very low activity towards ADP and even lower activity towards ATP. Does not hydrolyze AMP and GMP. Involved in proteoglycan synthesis.
Gene Name:: CANT1
Uniprot ID:: Q8WVQ1
Molecular weight:: 44839.24

Enzyme Details

4. Ectonucleoside triphosphate diphosphohydrolase 3

General function:: Involved in hydrolase activity
Specific function:: Has a threefold preference for the hydrolysis of ATP over ADP.
Gene Name:: ENTPD3
Uniprot ID:: O75355
Molecular weight:: 59104.76

Reactions

CDP + Water → Cytidine monophosphate + Phosphate	details
Cytidine triphosphate + Water → CDP + Phosphate	details

Enzyme Details

5. Nucleoside diphosphate kinase, mitochondrial

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP (By similarity).
Gene Name:: NME4
Uniprot ID:: O00746
Molecular weight:: 20658.45

Reactions

Adenosine triphosphate + CDP → ADP + Cytidine triphosphate	details

Enzyme Details

6. Ribonucleoside-diphosphate reductase large subunit

General function:: Involved in oxidation reduction
Specific function:: Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides.
Gene Name:: RRM1
Uniprot ID:: P23921
Molecular weight:: 90069.375

Reactions

dCDP + Thioredoxin disulfide + Water → Thioredoxin + CDP	details

Enzyme Details

7. Nucleoside diphosphate kinase A

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. Possesses nucleoside-diphosphate kinase, serine/threonine-specific protein kinase, geranyl and farnesyl pyrophosphate kinase, histidine protein kinase and 3'-5' exonuclease activities. Involved in cell proliferation, differentiation and development, signal transduction, G protein-coupled receptor endocytosis, and gene expression. Required for neural development including neural patterning and cell fate determination.
Gene Name:: NME1
Uniprot ID:: P15531
Molecular weight:: 17148.635

Reactions

Adenosine triphosphate + CDP → ADP + Cytidine triphosphate	details

Enzyme Details

8. Nucleoside diphosphate kinase 7

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate.
Gene Name:: NME7
Uniprot ID:: Q9Y5B8
Molecular weight:: 42491.365

Reactions

Adenosine triphosphate + CDP → ADP + Cytidine triphosphate	details

Enzyme Details

9. Ribonucleoside-diphosphate reductase subunit M2

General function:: Involved in oxidoreductase activity
Specific function:: Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides. Inhibits Wnt signaling.
Gene Name:: RRM2
Uniprot ID:: P31350
Molecular weight:: 44877.25

Reactions

dCDP + Thioredoxin disulfide + Water → Thioredoxin + CDP	details

Enzyme Details

10. Nucleoside diphosphate kinase B

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. Negatively regulates Rho activity by interacting with AKAP13/LBC. Acts as a transcriptional activator of the MYC gene; binds DNA non-specifically (PubMed:8392752). Exhibits histidine protein kinase activity.
Gene Name:: NME2
Uniprot ID:: P22392
Molecular weight:: 30136.92

Reactions

Adenosine triphosphate + CDP → ADP + Cytidine triphosphate	details

Only showing the first 10 proteins. There are 32 proteins in total.

Show all enzymes and transporters

Showing metabocard for CDP (HMDB0001546)

MOL for HMDB0001546 (CDP)

3D MOL for HMDB0001546 (CDP)

3D SDF for HMDB0001546 (CDP)

3D-SDF for HMDB0001546 (CDP)

PDB for HMDB0001546 (CDP)

3D PDB for HMDB0001546 (CDP)

SMILES for HMDB0001546 (CDP)

INCHI for HMDB0001546 (CDP)

Structure for HMDB0001546 (CDP)

3D Structure for HMDB0001546 (CDP)

Collision Cross Sections

Retention Indices

Underivatized

Derivatized

GC-MS

LC-MS/MS

NMR

Enzymes

Reactions

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