MiMeDB: Showing metabocard for dCMP (MMDBc0000564)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:40:38 UTC

Update Date

2024-10-11 01:30:05 UTC

Metabolite ID

MMDBc0000564

Metabolite Identification

Common Name

dCMP

Description

Deoxycytidine monophosphate (dCMP), also known as deoxycytidylic acid or deoxycytidylate in its conjugate acid and conjugate base forms, respectively, is a deoxynucleotide, and one of the four monomers that make up DNA. In a DNA double helix, it will base pair with deoxyguanosine monophosphate. dCMP belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Deficiency of the enzyme deoxycytidine kinase (EC2.7.1.74) is associated with resistance to antiviral and anticancer chemotherapeutic agents, whereas increased enzyme activity is associated with increased activation of these compounds to cytotoxic nucleoside triphosphate derivatives. dCMP exists in all living species, ranging from bacteria to humans. Within humans, dCMP participates in a number of enzymatic reactions. In particular, dCMP can be converted to dCDP by the enzyme UMP-CMP kinase 2. In addition, dCMP can be converted into deoxycytidine, which is catalyzed by the enzyme cytosolic purine 5'-nucleotidase. In humans, dCMP is involved in the metabolic disorder called ump synthase deficiency (orotic aciduria). Outside of the human body, dCMP has been detected, but not quantified in several different foods, such as turnips, garlics, agaves, garden onions, and italian sweet red peppers. dCMP is a deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2'-,3'- or 5- positions.

Structure

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

HMDB0001202
     RDKit          3D
dCMP
 34 35  0  0  0  0  0  0  0  0999 V2000
   -6.2543    0.4625   -0.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559    0.3069    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3413   -0.9517    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -1.0889    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.0523    0.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -0.3059    0.7359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2759   -1.3639   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -1.0765   -0.3069 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9375   -2.1202    0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    0.1787    0.5280 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4284    1.0973   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    0.4377    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385    1.3574   -0.4254 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5186    2.7400   -0.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    1.4996    0.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    0.6261   -1.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832    0.7551    0.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534    1.1652    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    2.1395    0.2468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9846    1.3351    0.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6669    0.8178   -0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9573    0.2250    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0189   -1.8191    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -2.0928    0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809   -0.6265    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -2.3822    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094   -1.0966   -1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742   -0.9238   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   -2.8992    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192   -0.0280    1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    2.0404    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191    1.3210   -1.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1018    0.6591    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9043   -0.3367   -1.5669 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
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  2  0
 17  6  1  0
  1 21  1  0
  1 22  1  0
  3 23  1  0
  4 24  1  0
  6 25  1  1
  7 26  1  0
  7 27  1  0
  8 28  1  6
  9 29  1  0
 10 30  1  1
 11 31  1  0
 11 32  1  0
 15 33  1  0
 16 34  1  0
M  END


  Mrv1652309042000192D          

 20 21  0  0  1  0            999 V2000
    1.3231    0.3051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5347    0.0480    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9401   -0.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    0.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -0.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252    0.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756   -1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    1.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    0.0274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5313   -0.7576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8931    0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597    0.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -1.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747    1.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1664   -0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9857   -0.2708    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891   -1.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8049   -0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    0.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  1  0  0  0
 11 14  1  6  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000564

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

> <INCHI_KEY>
NCMVOABPESMRCP-SHYZEUOFSA-N

> <FORMULA>
C9H14N3O7P

> <MOLECULAR_WEIGHT>
307.1971

> <EXACT_MASS>
307.056936329

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
26.195129069085244

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.13

> <JCHEM_LOGP>
-2.283034970573228

> <ALOGPS_LOGS>
-1.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.2585739758421095

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.279165528098246

> <JCHEM_PKA_STRONGEST_BASIC>
0.16099958039925

> <JCHEM_POLAR_SURFACE_AREA>
154.91

> <JCHEM_REFRACTIVITY>
63.907000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dCMP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001202
     RDKit          3D
dCMP
 34 35  0  0  0  0  0  0  0  0999 V2000
   -6.2543    0.4625   -0.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559    0.3069    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3413   -0.9517    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -1.0889    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.0523    0.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -0.3059    0.7359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2759   -1.3639   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -1.0765   -0.3069 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9375   -2.1202    0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    0.1787    0.5280 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4284    1.0973   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    0.4377    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385    1.3574   -0.4254 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5186    2.7400   -0.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    1.4996    0.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    0.6261   -1.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832    0.7551    0.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534    1.1652    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    2.1395    0.2468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9846    1.3351    0.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6669    0.8178   -0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9573    0.2250    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0189   -1.8191    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -2.0928    0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809   -0.6265    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -2.3822    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094   -1.0966   -1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742   -0.9238   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   -2.8992    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192   -0.0280    1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    2.0404    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191    1.3210   -1.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1018    0.6591    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9043   -0.3367   -1.5669 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
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  2  0
 17  6  1  0
  1 21  1  0
  1 22  1  0
  3 23  1  0
  4 24  1  0
  6 25  1  1
  7 26  1  0
  7 27  1  0
  8 28  1  6
  9 29  1  0
 10 30  1  1
 11 31  1  0
 11 32  1  0
 15 33  1  0
 16 34  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  N   UNK     0       2.470   0.570   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       0.998   0.090   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.622  -0.454   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.790   2.073   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.198   0.966   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.550  -1.414   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       5.087   0.032   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0       3.314  -1.952   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.242   2.559   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.446   0.051   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.992  -1.414   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.400   1.536   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.911   0.525   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.900  -2.643   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       6.859   2.016   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      -4.044  -0.505   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      -5.573  -0.505   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      -5.580  -2.035   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -7.102  -0.505   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -5.580   1.024   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10                                                       
CONECT    6    2   11                                                       
CONECT    7    3   12                                                       
CONECT    8    3                                                            
CONECT    9    4   12                                                       
CONECT   10    5   13   11                                                  
CONECT   11    6   14   10                                                  
CONECT   12    7   15    9                                                  
CONECT   13   10   16                                                       
CONECT   14   11                                                            
CONECT   15   12                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

COMPND    HMDB0001202
HETATM    1  N1  UNL     1      -6.254   0.463  -0.052  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.856   0.307   0.142  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.341  -0.952   0.387  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.983  -1.089   0.573  1.00  0.00           C  
HETATM    5  N2  UNL     1      -2.128  -0.052   0.528  1.00  0.00           N  
HETATM    6  C4  UNL     1      -0.735  -0.306   0.736  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.276  -1.364  -0.271  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.229  -1.076  -0.307  1.00  0.00           C  
HETATM    9  O1  UNL     1       1.938  -2.120   0.304  1.00  0.00           O  
HETATM   10  C7  UNL     1       1.359   0.179   0.528  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.428   1.097  -0.019  1.00  0.00           C  
HETATM   12  O2  UNL     1       3.649   0.438   0.148  1.00  0.00           O  
HETATM   13  P1  UNL     1       4.938   1.357  -0.425  1.00  0.00           P  
HETATM   14  O3  UNL     1       4.519   2.740  -0.847  1.00  0.00           O  
HETATM   15  O4  UNL     1       6.080   1.500   0.835  1.00  0.00           O  
HETATM   16  O5  UNL     1       5.691   0.626  -1.743  1.00  0.00           O  
HETATM   17  O6  UNL     1       0.083   0.755   0.406  1.00  0.00           O  
HETATM   18  C9  UNL     1      -2.653   1.165   0.288  1.00  0.00           C  
HETATM   19  O7  UNL     1      -1.841   2.139   0.247  1.00  0.00           O  
HETATM   20  N3  UNL     1      -3.985   1.335   0.100  1.00  0.00           N  
HETATM   21  H1  UNL     1      -6.667   0.818  -0.943  1.00  0.00           H  
HETATM   22  H2  UNL     1      -6.957   0.225   0.701  1.00  0.00           H  
HETATM   23  H3  UNL     1      -5.019  -1.819   0.429  1.00  0.00           H  
HETATM   24  H4  UNL     1      -2.599  -2.093   0.766  1.00  0.00           H  
HETATM   25  H5  UNL     1      -0.481  -0.626   1.764  1.00  0.00           H  
HETATM   26  H6  UNL     1      -0.491  -2.382   0.079  1.00  0.00           H  
HETATM   27  H7  UNL     1      -0.709  -1.097  -1.235  1.00  0.00           H  
HETATM   28  H8  UNL     1       1.574  -0.924  -1.340  1.00  0.00           H  
HETATM   29  H9  UNL     1       1.311  -2.899   0.321  1.00  0.00           H  
HETATM   30  H10 UNL     1       1.519  -0.028   1.598  1.00  0.00           H  
HETATM   31  H11 UNL     1       2.431   2.040   0.525  1.00  0.00           H  
HETATM   32  H12 UNL     1       2.219   1.321  -1.081  1.00  0.00           H  
HETATM   33  H13 UNL     1       6.102   0.659   1.376  1.00  0.00           H  
HETATM   34  H14 UNL     1       5.904  -0.337  -1.567  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3   20   20
CONECT    3    4    4   23
CONECT    4    5   24
CONECT    5    6   18
CONECT    6    7   17   25
CONECT    7    8   26   27
CONECT    8    9   10   28
CONECT    9   29
CONECT   10   11   17   30
CONECT   11   12   31   32
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   33
CONECT   16   34
CONECT   18   19   19   20
END

HMDB0001202
     RDKit          3D
dCMP
 34 35  0  0  0  0  0  0  0  0999 V2000
   -6.2543    0.4625   -0.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559    0.3069    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3413   -0.9517    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -1.0889    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.0523    0.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -0.3059    0.7359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2759   -1.3639   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -1.0765   -0.3069 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9375   -2.1202    0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    0.1787    0.5280 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4284    1.0973   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    0.4377    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385    1.3574   -0.4254 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5186    2.7400   -0.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    1.4996    0.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    0.6261   -1.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832    0.7551    0.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534    1.1652    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    2.1395    0.2468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9846    1.3351    0.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6669    0.8178   -0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9573    0.2250    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0189   -1.8191    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -2.0928    0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809   -0.6265    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -2.3822    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094   -1.0966   -1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742   -0.9238   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   -2.8992    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192   -0.0280    1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    2.0404    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191    1.3210   -1.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1018    0.6591    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9043   -0.3367   -1.5669 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
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  2  0
 17  6  1  0
  1 21  1  0
  1 22  1  0
  3 23  1  0
  4 24  1  0
  6 25  1  1
  7 26  1  0
  7 27  1  0
  8 28  1  6
  9 29  1  0
 10 30  1  1
 11 31  1  0
 11 32  1  0
 15 33  1  0
 16 34  1  0
M  END

Synonyms

Value	Source
2'-Deoxycytidine 5'-monophosphate	ChEBI
2'-DEOXYCYTIDINE-5'-monophosphATE	ChEBI
Deoxycytidine monophosphate	ChEBI
Deoxycytidylate	ChEBI
Deoxycytidylic acid	ChEBI
2'-Deoxycytidine 5'-monophosphoric acid	Generator
2'-DEOXYCYTIDINE-5'-monophosphoric acid	Generator
Deoxycytidine monophosphoric acid	Generator
2'-Deoxycytosine 5'-monophosphate	HMDB
2'-Deoxycytosine 5'-monophosphoric acid	HMDB
2'-Deoxycytidine-3'-monophosphate	HMDB
2'-Deoxycytidine-5'-monophosphorate	HMDB
2'-Deoxycytidine-5'-phosphate	HMDB
Deoxycytidine-phosphate	HMDB
Acid, deoxycytidylic	HMDB
Deoxycytidylic acids	HMDB
Acids, deoxycytidylic	HMDB
monoPhosphate, deoxycytidine	HMDB

Molecular Formula

C₉H₁₄N₃O₇P

Average Mass

307.1971

Monoisotopic Mass

307.056936329

IUPAC Name

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

Traditional Name

dCMP

CAS Registry Number

Not Available

SMILES

NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1

InChI Identifier

InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChI Key

NCMVOABPESMRCP-SHYZEUOFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine deoxyribonucleotides

Direct Parent

Pyrimidine 2'-deoxyribonucleoside monophosphates

Alternative Parents

Substituents

Pyrimidine 2'-deoxyribonucleoside monophosphate
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Imidolactam
Alkyl phosphate
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Primary amine
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Alcohol
Amine
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

2'-deoxycytidine phosphate (CHEBI:15918 )
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate (CHEBI:15918 )
Deoxyribonucleotides (C00239 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	10.9 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-2.3	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	1.28	ChemAxon
pKa (Strongest Basic)	0.16	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	154.91 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	63.91 m³·mol⁻¹	ChemAxon
Polarizability	26.2 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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	splash10-0002-9410000000-f31bf162f5f972b9cf42	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-03dm-9522000000-d25b21eb547d23c4886d	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 - Quattro_QQQ 10V, Positive (Annotated)	splash10-03di-0900000000-01bb64efeca205daaf6e	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-03di-1900000000-13c56ec900e188e10ddb	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-03di-5900000000-4e6dd8fdc8a4142269a2	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-004j-9402000000-6a9e4b2e32058773f6bf	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 35V, negative	splash10-0006-9000000000-3b4572f2c8e51186f7e5	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-bc40821757dbbe57a7c2	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-03di-1900000000-9052cfbf31794c457d3b	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-004j-9400000000-1f2a185e05aed001e983	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-5209000000-b46ae8ade9397163198a	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-004j-9300000000-c6505ac4fafc2bc54910	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0900000000-2d1a73d09ad4b06da15f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-03fr-3910000000-ee0cc0c7897818415edc	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-03di-2900000000-7e33f3b263e35a18c2e0	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-03dj-9400000000-4ab96ba8107b5f1820a6	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-03di-3900000000-56a3ecce668ff56b702c	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-03di-0900000000-986f256cdcdf8c8d2f9f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-0006-9000000000-d236c094fbaf8d2136b4	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0900000000-dd904e0c162b36055113	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0900000000-4cc5b5143e38514f3010	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0900000000-3b0a0a6948a49378ff1c	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-4900000000-a901f489d4e9b8516bf2	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-6900000000-d9e59981c244792a2f76	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6r-9367000000-d5c1062e5203ec9699d4	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9110000000-20768d2b834097ac11d7	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-29f2d493f3f68928488b	2016-09-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Lysosome
Mitochondria
Nucleus

Biospecimen Locations

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
MMDBp0191677	5'-nucleotidase	Unknown	P21589	Homo sapiens
MMDBp0191678	Deoxycytidylate deaminase	Unknown	P32321	Homo sapiens
MMDBp0191679	UMP-CMP kinase	Unknown	P30085	Homo sapiens
MMDBp0191680	Cytosolic 5'-nucleotidase 1B	Unknown	Q96P26	Homo sapiens
MMDBp0191681	Cytosolic 5'-nucleotidase 1A	Unknown	Q9BXI3	Homo sapiens
MMDBp0191682	5'(3')-deoxyribonucleotidase, cytosolic type	Unknown	Q8TCD5	Homo sapiens
MMDBp0191683	Deoxycytidine kinase	Enzyme	P27707	Homo sapiens
MMDBp0191684	5'(3')-deoxyribonucleotidase, mitochondrial	Unknown	Q9NPB1	Homo sapiens
MMDBp0193860	Cytosolic 5'-nucleotidase 3	Enzyme	Q9H0P0	Homo sapiens
MMDBp0193932	Cytosolic purine 5'-nucleotidase	Unknown	P49902	Homo sapiens
MMDBp0194184	UMP-CMP kinase 2, mitochondrial	Enzyme	Q5EBM0	Homo sapiens
MMDBp0196729	dCTP pyrophosphatase 1	Unknown	Q9H773

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000585	dCMP	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000586	dCMP	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000587	dCMP	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000588	dCMP	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000589	Deoxyadenosine triphosphate	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000590	Deoxyadenosine triphosphate	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000591	dCMP	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000592	dCMP	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000595	dCMP	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH; KEGG	10462544 11912132
MMDBr0000597	Cytidine triphosphate	CDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000598	dCMP	dCDP	adenylate kinase 5	VMH	10215863
MMDBr0000599	dCMP	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000600	Cytidine triphosphate	CDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000628	Deoxycytidine	dCMP	Not Available	VMH; KEGG	265735
MMDBr0000629	Deoxycytidine	dCMP	deoxycytidine kinase	VMH; KEGG	10387103 12535661 9342341
MMDBr0000630	Deoxycytidine	dCMP	deoxycytidine kinase	VMH	10387103 12535661 9342341
MMDBr0001726	dCDP	dCMP	dCTP pyrophosphatase 1	VMH; KEGG	30371894
MMDBr0001789	dCMP	Deoxycytidine	acid phosphatase 2, lysosomal	VMH	30371894
MMDBr0002524	Deoxycytidine	dCMP	Not Available	VMH	12036920 1657002 213049 8399394 9342341 9593124
MMDBr0007745	dCMP	dCDP	Not Available	VMH; KEGG	30371894
MMDBr0007922	dCMP	Deoxycytidine	Not Available	VMH; KEGG	30371894
MMDBr0008069	dCMP	dUMP	Not Available	VMH; KEGG	30371894
MMDBr0008426	Deoxycytidine	dCMP	Not Available	VMH	30371894

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	Actinobacteria	141	Human ; Human feces; Human saliva; Human supragingival plaque; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human mucosa; Human subgingival plaque; Cattle	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Firmicutes	488	Human ; Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool; Catfish	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Archaea	Euryarchaeota	1	Human feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Proteobacteria	401	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	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	24	Human feces; Goat ; Human ; Pig	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Viruses/Heunggongvirae	Uroviricota	5
Eukaryota/Fungi	Ascomycota	3	Human feces; Human saliva	Unknown
Archaea/Archaea	Crenarchaeota	17		Metabolic reconstruction
Bacteria	Aquificae	2
Archaea/Archaea	Euryarchaeota	34		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	Acidobacteria	1
Bacteria	Nitrospirae	1
Bacteria	Cyanobacteria	26
Bacteria	nah	1

Exposure Sources

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

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified				HMDB
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	29808030

External Links

HMDB ID

HMDB0001202

DrugBank ID

DB03798

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022488

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

15918

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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Mazurets AF, Kubyshkin VF, Dziuba MV: [The cytochemical characteristics of the blood polymorphonuclear leukocytes in dilated cardiomyopathy and an inflammatory myocardial lesion]. Lik Sprava. 1994 Jul-Aug;(7-8):109-12. [PubMed:7900329 ]
Lebedev PA: [Selenium deficiency in patients with cardiovascular diseases and its correction with the drug "selena"]. Patol Fiziol Eksp Ter. 1996 Jul-Sep;(3):5-7. [PubMed:8966057 ]
Zambonin CG, Palmisano F: Electrospray ionization mass spectrometry of 5-methyl-2'-deoxycytidine and its determination in urine by liquid chromatography/electrospray ionization tandem mass spectrometry. Rapid Commun Mass Spectrom. 1999;13(21):2160-5. doi: 10.1002/(SICI)1097-0231(19991115)13:21<2160::AID-RCM768>3.0.CO;2-D. [PubMed:10523775 ]
Zambonin CG, Aresta A, Palmisano F, Specchia G, Liso V: Liquid chromatographic determination of urinary 5-methyl-2'-deoxycytidine and pseudouridine as potential biological markers for leukaemia. J Pharm Biomed Anal. 1999 Dec;21(5):1045-51. doi: 10.1016/s0731-7085(99)00221-6. [PubMed:10703973 ]
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Showing metabocard for dCMP (MMDBc0000564)

MOL for #<Metabolite:0x00007f46d85d36f0>

3D MOL for #<Metabolite:0x00007f46d85d36f0>

3D SDF for #<Metabolite:0x00007f46d85d36f0>

3D-SDF for #<Metabolite:0x00007f46d85d36f0>

PDB for #<Metabolite:0x00007f46d85d36f0>

3D PDB for #<Metabolite:0x00007f46d85d36f0>

SMILES for #<Metabolite:0x00007f46d85d36f0>

INCHI for #<Metabolite:0x00007f46d85d36f0>

Structure for #<Metabolite:0x00007f46d85d36f0>

3D Structure for #<Metabolite:0x00007f46d85d36f0>