MiMeDB: Showing metabocard for Cyclic GMP (MMDBc0029763)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:40:37 UTC

Update Date

2024-10-13 14:38:33 UTC

Metabolite ID

MMDBc0029763

Metabolite Identification

Common Name

Cyclic GMP

Description

Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger.

Structure

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

HMDB0001314
     RDKit          3D
Cyclic GMP
 35 38  0  0  0  0  0  0  0  0999 V2000
   -3.7949    2.6944   -0.2952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6017    1.2948   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671    0.7883    0.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1126   -0.5087    0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589   -1.3780    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6492   -2.5869    0.7150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -2.4781    0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9672   -1.2123    0.5762 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240   -0.5686    0.5428 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4551   -0.0072   -0.7504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521    0.4327   -0.7188 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3398    0.7935   -2.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7061    1.0505   -1.8392 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1335    1.1080   -0.2265 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6557    0.9755   -0.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059    2.5644    0.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -0.2241    0.6478 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362   -0.7725   -0.1811 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4694   -1.5189    0.5759 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8632   -1.8999    1.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4517   -0.8683    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4245   -1.6531    0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6308    0.4398    0.0530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    3.4127    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760    3.0557   -1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971   -3.2800    0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4323    0.1862    1.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070    1.2890   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271    1.6263   -2.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850   -0.1123   -2.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648    2.5337    1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001   -1.3539   -0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997   -2.4168   -0.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253   -2.1957    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6035    0.7896   -0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 23  2  1  0
  8  4  1  0
 19  9  1  0
 18 11  1  0
  1 24  1  0
  1 25  1  0
  7 26  1  0
  9 27  1  1
 11 28  1  1
 12 29  1  0
 12 30  1  0
 16 31  1  0
 18 32  1  6
 19 33  1  6
 20 34  1  0
 23 35  1  0
M  END


  Mrv0541 02231219032D          

 23 26  0  0  1  0            999 V2000
    1.2019    0.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5697    0.6774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9349    0.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2818   -0.6044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1980    0.4308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8510    1.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    1.5041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6817    0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703   -0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516   -0.3126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8719    0.9344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755   -0.4342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382    0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1641   -1.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2714   -0.3126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0626   -0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284    0.4655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8619   -0.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3204    0.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7650   -0.6461    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9387    0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720   -1.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5431   -0.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  6  0  0  0
 11 17  1  0  0  0  0
 15 18  1  6  0  0  0
 17 19  1  1  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
  6  7  2  0  0  0  0
  9 12  1  0  0  0  0
 15 17  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029763

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1

> <INCHI_KEY>
ZOOGRGPOEVQQDX-UUOKFMHZSA-N

> <FORMULA>
C10H12N5O7P

> <MOLECULAR_WEIGHT>
345.2053

> <EXACT_MASS>
345.047434275

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
29.18621554882084

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-hexahydro-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-6,9-dihydro-1H-purin-6-one

> <ALOGPS_LOGP>
-1.98

> <JCHEM_LOGP>
-2.0959093467809238

> <ALOGPS_LOGS>
-1.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.156306471801443

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.0500583837133326

> <JCHEM_PKA_STRONGEST_BASIC>
1.413587936272232

> <JCHEM_POLAR_SURFACE_AREA>
170.51999999999998

> <JCHEM_REFRACTIVITY>
71.715

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.79e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyclic-GMP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001314
     RDKit          3D
Cyclic GMP
 35 38  0  0  0  0  0  0  0  0999 V2000
   -3.7949    2.6944   -0.2952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6017    1.2948   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671    0.7883    0.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1126   -0.5087    0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589   -1.3780    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6492   -2.5869    0.7150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -2.4781    0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9672   -1.2123    0.5762 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240   -0.5686    0.5428 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4551   -0.0072   -0.7504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521    0.4327   -0.7188 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3398    0.7935   -2.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7061    1.0505   -1.8392 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1335    1.1080   -0.2265 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6557    0.9755   -0.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059    2.5644    0.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -0.2241    0.6478 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362   -0.7725   -0.1811 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4694   -1.5189    0.5759 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8632   -1.8999    1.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4517   -0.8683    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4245   -1.6531    0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6308    0.4398    0.0530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    3.4127    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760    3.0557   -1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971   -3.2800    0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4323    0.1862    1.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070    1.2890   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271    1.6263   -2.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850   -0.1123   -2.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648    2.5337    1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001   -1.3539   -0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997   -2.4168   -0.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253   -2.1957    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6035    0.7896   -0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 23  2  1  0
  8  4  1  0
 19  9  1  0
 18 11  1  0
  1 24  1  0
  1 25  1  0
  7 26  1  0
  9 27  1  1
 11 28  1  1
 12 29  1  0
 12 30  1  0
 16 31  1  0
 18 32  1  6
 19 33  1  6
 20 34  1  0
 23 35  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       2.244   0.447   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       1.063   1.264   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       3.612   1.452   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       2.393  -1.128   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -0.370   0.804   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.589   2.814   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       3.197   2.808   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       5.006   0.836   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.865  -1.783   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.843  -0.584   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.628   1.744   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       5.181  -0.811   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0       6.231   1.751   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       4.040  -3.417   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      -2.373  -0.584   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.117  -1.848   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.853   0.869   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.476  -1.679   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.331   1.349   0.000  0.00  0.00           C+0
HETATM   20  P   UNK     0      -5.161  -1.206   0.000  0.00  0.00           P+0
HETATM   21  O   UNK     0      -5.486   0.311   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -5.174  -2.756   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -6.614  -0.661   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   11                                                  
CONECT    6    2    7                                                       
CONECT    7    3    6                                                       
CONECT    8    3   12   13                                                  
CONECT    9    4   14   12                                                  
CONECT   10    5   15   16                                                  
CONECT   11    5   17                                                       
CONECT   12    8    9                                                       
CONECT   13    8                                                            
CONECT   14    9                                                            
CONECT   15   10   18   17                                                  
CONECT   16   10                                                            
CONECT   17   11   19   15                                                  
CONECT   18   15   20                                                       
CONECT   19   17   21                                                       
CONECT   20   18   22   23   21                                             
CONECT   21   19   20                                                       
CONECT   22   20                                                            
CONECT   23   20                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

COMPND    HMDB0001314
HETATM    1  N1  UNL     1      -3.795   2.694  -0.295  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.602   1.295  -0.034  1.00  0.00           C  
HETATM    3  N2  UNL     1      -2.367   0.788   0.133  1.00  0.00           N  
HETATM    4  C2  UNL     1      -2.113  -0.509   0.379  1.00  0.00           C  
HETATM    5  C3  UNL     1      -3.159  -1.378   0.468  1.00  0.00           C  
HETATM    6  N3  UNL     1      -2.649  -2.587   0.715  1.00  0.00           N  
HETATM    7  C4  UNL     1      -1.306  -2.478   0.780  1.00  0.00           C  
HETATM    8  N4  UNL     1      -0.967  -1.212   0.576  1.00  0.00           N  
HETATM    9  C5  UNL     1       0.324  -0.569   0.543  1.00  0.00           C  
HETATM   10  O1  UNL     1       0.455  -0.007  -0.750  1.00  0.00           O  
HETATM   11  C6  UNL     1       1.752   0.433  -0.719  1.00  0.00           C  
HETATM   12  C7  UNL     1       2.340   0.793  -2.032  1.00  0.00           C  
HETATM   13  O2  UNL     1       3.706   1.051  -1.839  1.00  0.00           O  
HETATM   14  P1  UNL     1       4.134   1.108  -0.227  1.00  0.00           P  
HETATM   15  O3  UNL     1       5.656   0.975  -0.148  1.00  0.00           O  
HETATM   16  O4  UNL     1       3.706   2.564   0.462  1.00  0.00           O  
HETATM   17  O5  UNL     1       3.508  -0.224   0.648  1.00  0.00           O  
HETATM   18  C8  UNL     1       2.536  -0.772  -0.181  1.00  0.00           C  
HETATM   19  C9  UNL     1       1.469  -1.519   0.576  1.00  0.00           C  
HETATM   20  O6  UNL     1       1.863  -1.900   1.839  1.00  0.00           O  
HETATM   21  C10 UNL     1      -4.452  -0.868   0.297  1.00  0.00           C  
HETATM   22  O7  UNL     1      -5.425  -1.653   0.375  1.00  0.00           O  
HETATM   23  N5  UNL     1      -4.631   0.440   0.053  1.00  0.00           N  
HETATM   24  H1  UNL     1      -3.549   3.413   0.431  1.00  0.00           H  
HETATM   25  H2  UNL     1      -4.176   3.056  -1.188  1.00  0.00           H  
HETATM   26  H3  UNL     1      -0.597  -3.280   0.967  1.00  0.00           H  
HETATM   27  H4  UNL     1       0.432   0.186   1.329  1.00  0.00           H  
HETATM   28  H5  UNL     1       1.807   1.289  -0.019  1.00  0.00           H  
HETATM   29  H6  UNL     1       1.827   1.626  -2.541  1.00  0.00           H  
HETATM   30  H7  UNL     1       2.285  -0.112  -2.699  1.00  0.00           H  
HETATM   31  H8  UNL     1       3.565   2.534   1.437  1.00  0.00           H  
HETATM   32  H9  UNL     1       3.000  -1.354  -0.982  1.00  0.00           H  
HETATM   33  H10 UNL     1       1.200  -2.417  -0.053  1.00  0.00           H  
HETATM   34  H11 UNL     1       2.825  -2.196   1.770  1.00  0.00           H  
HETATM   35  H12 UNL     1      -5.604   0.790  -0.070  1.00  0.00           H  
CONECT    1    2   24   25
CONECT    2    3    3   23
CONECT    3    4
CONECT    4    5    5    8
CONECT    5    6   21
CONECT    6    7    7
CONECT    7    8   26
CONECT    8    9
CONECT    9   10   19   27
CONECT   10   11
CONECT   11   12   18   28
CONECT   12   13   29   30
CONECT   13   14
CONECT   14   15   15   16   17
CONECT   16   31
CONECT   17   18
CONECT   18   19   32
CONECT   19   20   33
CONECT   20   34
CONECT   21   22   22   23
CONECT   23   35
END

HMDB0001314
     RDKit          3D
Cyclic GMP
 35 38  0  0  0  0  0  0  0  0999 V2000
   -3.7949    2.6944   -0.2952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6017    1.2948   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671    0.7883    0.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1126   -0.5087    0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589   -1.3780    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6492   -2.5869    0.7150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -2.4781    0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9672   -1.2123    0.5762 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240   -0.5686    0.5428 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4551   -0.0072   -0.7504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521    0.4327   -0.7188 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3398    0.7935   -2.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7061    1.0505   -1.8392 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1335    1.1080   -0.2265 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6557    0.9755   -0.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059    2.5644    0.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -0.2241    0.6478 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362   -0.7725   -0.1811 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4694   -1.5189    0.5759 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8632   -1.8999    1.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4517   -0.8683    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4245   -1.6531    0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6308    0.4398    0.0530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    3.4127    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760    3.0557   -1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971   -3.2800    0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4323    0.1862    1.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070    1.2890   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271    1.6263   -2.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850   -0.1123   -2.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648    2.5337    1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001   -1.3539   -0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997   -2.4168   -0.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253   -2.1957    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6035    0.7896   -0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 23  2  1  0
  8  4  1  0
 19  9  1  0
 18 11  1  0
  1 24  1  0
  1 25  1  0
  7 26  1  0
  9 27  1  1
 11 28  1  1
 12 29  1  0
 12 30  1  0
 16 31  1  0
 18 32  1  6
 19 33  1  6
 20 34  1  0
 23 35  1  0
M  END

Synonyms

Value	Source
CGMP	ChEBI
Guanosine 3',5'-cyclic monophosphate	ChEBI
Guanosine 3',5'-cyclic phosphate	ChEBI
Guanosine cyclic monophosphate	ChEBI
Guanosine 3',5'-cyclic monophosphoric acid	Generator
Guanosine 3',5'-cyclic phosphoric acid	Generator
Guanosine cyclic monophosphoric acid	Generator
3',5'-Cyclic GMP	HMDB
3',5'-Guanosine	HMDB
3',5'-Guanosine monophosphate	HMDB
Cyclic 3',5'-guanosine monophosphate	HMDB
Cyclic guanosine 3',5'-monophosphate	HMDB
Cyclic-GMP	HMDB
Guanosine 3',5'-cyclic-monophosphate	HMDB
Guanosine 3',5'-monophosphate	HMDB
Guanosine cyclic-monophosphate	HMDB
Guanosine-cyclic-phosphoric-acid	HMDB
Cyclic 3',5'-monophosphate, guanosine	HMDB
GMP, Cyclic	HMDB
Guanosine cyclic-3',5'-monophosphate	HMDB
monoPhosphate, guanosine cyclic	HMDB
3',5'-monoPhosphate, guanosine cyclic	HMDB
Cyclic-3',5'-monophosphate, guanosine	HMDB
Guanosine cyclic 3',5'-monophosphate	HMDB
Guanosine cyclic 3,5 monophosphate	HMDB
Cyclic monophosphate, guanosine	HMDB
Guanosine cyclic 3',5' monophosphate	HMDB

Molecular Formula

C₁₀H₁₂N₅O₇P

Average Mass

345.2053

Monoisotopic Mass

345.047434275

IUPAC Name

9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-hexahydro-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-6,9-dihydro-1H-purin-6-one

Traditional Name

cyclic-GMP

CAS Registry Number

7665-99-8

SMILES

NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1

InChI Identifier

InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1

InChI Key

ZOOGRGPOEVQQDX-UUOKFMHZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3',5'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Cyclic purine nucleotides

Direct Parent

3',5'-cyclic purine nucleotides

Alternative Parents

Substituents

3',5'-cyclic purine ribonucleotide
Pentose phosphate
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Monosaccharide phosphate
Purinone
Imidazopyrimidine
Purine
Aminopyrimidine
Pyrimidone
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Pyrimidine
Vinylogous amide
Azole
Tetrahydrofuran
Heteroaromatic compound
Imidazole
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Alcohol
Organic nitrogen compound
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organic oxide
Primary amine
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

3',5'-cyclic purine nucleotide (CHEBI:16356 )
guanyl ribonucleotide (CHEBI:16356 )
3',5'-Cyclic nuclcleotides (C00942 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	3.79 g/L	ALOGPS
logP	-2	ALOGPS
logP	-2.1	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	2.05	ChemAxon
pKa (Strongest Basic)	1.41	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	170.52 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	71.72 m³·mol⁻¹	ChemAxon
Polarizability	29.19 Å³	ChemAxon
Number of Rings	4	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
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-001i-2972000000-80320c485cef8d6d91ad	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-001i-2972000000-80320c485cef8d6d91ad	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f76-3901000000-c970aad6713a547b2d8f	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-00di-4590100000-edbc82f84eca5a64f5a5	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
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-0uec-2904000000-85af5865e64af24e7691	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0udi-0904000000-e34bb3204af3b18ddf11	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0udj-0908000000-35925bce602ee60e24ee	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0udj-0904000000-93fabfb961527e02671e	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0udj-0907000000-60b56b2fcc437a04a7b8	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0udj-0908000000-16c413e42a41fa5e7262	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-0udl-3904000000-051a745d5db4f607a935	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0udi-0901000000-a2a6721a5a98c3d3e945	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0udj-0907000000-ae3d3b4dfb6aefdd34c3	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0udj-0904000000-fd635f17953dbbff039b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0udi-0902000000-36d8b1a240f9f6471886	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0002-0009000000-4c75be42ba8dbd671bbf	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0002-0009000000-06ee1dc93418cde4fe39	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0udi-0900000000-db6612a4a4b92db51507	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0udi-0900000000-8455683aa1bc0141dd38	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0udi-0900000000-196c267f58b468d3a8f5	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0002-0009000000-7637808812023bf3fb33	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0002-0009000000-34c09019debbbd2ef2a6	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0002-0009000000-db049b28da12291887ce	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0904000000-65ab088e129c01a9b140	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-fc45e23a1d622d9a6848	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udr-0900000000-d7d3bc38b1c32086753e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0f6x-1709000000-881760c573673e832db8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-2900000000-f74b8ec55fbea3fdf8cd	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-003u-9600000000-d7f00c8f8cec474c7304	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Golgi apparatus
Nucleus

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Feces
Kidney
Platelet
Smooth Muscle

Tissue Locations

Kidney
Platelet
Smooth Muscle

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192207	Retinal cone rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma	Enzyme	Q13956	Homo sapiens
MMDBp0192215	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A	Unknown	P54750	Homo sapiens
MMDBp0192219	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	Unknown	O60658	Homo sapiens
MMDBp0192220	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	Enzyme	Q01064	Homo sapiens
MMDBp0192222	cGMP-inhibited 3',5'-cyclic phosphodiesterase B	Enzyme	Q13370	Homo sapiens
MMDBp0192226	Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'	Enzyme	P51160	Homo sapiens
MMDBp0192233	High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A	Unknown	Q13946	Homo sapiens
MMDBp0192242	cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Unknown	Q14432	Homo sapiens
MMDBp0192246	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Unknown	Q9Y233	Homo sapiens
MMDBp0192247	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C	Unknown	Q14123	Homo sapiens
MMDBp0192251	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	Unknown	Q07343	Homo sapiens
MMDBp0192254	cAMP-specific 3',5'-cyclic phosphodiesterase 7B	Unknown	Q9NP56	Homo sapiens
MMDBp0192258	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	Unknown	O76083	Homo sapiens
MMDBp0192259	cGMP-dependent 3',5'-cyclic phosphodiesterase	Unknown	O00408	Homo sapiens
MMDBp0192266	Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha	Enzyme	P16499	Homo sapiens
MMDBp0192272	High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B	Unknown	O95263	Homo sapiens
MMDBp0192273	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	Unknown	Q08493	Homo sapiens
MMDBp0192276	Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit beta	Enzyme	P35913	Homo sapiens
MMDBp0192278	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	Unknown	Q08499	Homo sapiens
MMDBp0192279	Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma	Enzyme	P18545	Homo sapiens
MMDBp0192282	Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta	Enzyme	O43924	Homo sapiens
MMDBp0192291	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Unknown	P27815	Homo sapiens
MMDBp0192296	cGMP-specific 3',5'-cyclic phosphodiesterase	Unknown	O76074	Homo sapiens
MMDBp0192343	Adenylate cyclase type 7	Unknown	P51828	Homo sapiens
MMDBp0192344	Adenylate cyclase type 4	Unknown	Q8NFM4	Homo sapiens
MMDBp0192345	Adenylate cyclase type 6	Unknown	O43306	Homo sapiens
MMDBp0192346	Adenylate cyclase type 5	Unknown	O95622	Homo sapiens
MMDBp0192347	Adenylate cyclase type 8	Unknown	P40145	Homo sapiens
MMDBp0192348	Adenylate cyclase type 9	Unknown	O60503	Homo sapiens
MMDBp0192349	Adenylate cyclase type 3	Unknown	O60266	Homo sapiens
MMDBp0192350	Adenylate cyclase type 1	Unknown	Q08828	Homo sapiens
MMDBp0192539	Adenylate cyclase type 2	Unknown	Q08462	Homo sapiens
MMDBp0192672	Atrial natriuretic peptide receptor 2	Unknown	P20594	Homo sapiens
MMDBp0192673	Guanylate cyclase soluble subunit beta-1	Unknown	Q02153	Homo sapiens
MMDBp0192674	Retinal guanylyl cyclase 1	Unknown	Q02846	Homo sapiens
MMDBp0192675	Guanylate cyclase soluble subunit alpha-3	Unknown	Q02108	Homo sapiens
MMDBp0192676	Atrial natriuretic peptide receptor 1	Unknown	P16066	Homo sapiens
MMDBp0192677	Heat-stable enterotoxin receptor	Unknown	P25092	Homo sapiens
MMDBp0192679	Guanylate cyclase soluble subunit alpha-2	Unknown	P33402	Homo sapiens
MMDBp0192682	Retinal guanylyl cyclase 2	Unknown	P51841	Homo sapiens
MMDBp0192683	Guanylate cyclase soluble subunit beta-2	Unknown	O75343	Homo sapiens
MMDBp0192724	Cyclic nucleotide-gated cation channel alpha-3	Unknown	Q16281	Homo sapiens
MMDBp0192726	Cyclic nucleotide-gated cation channel beta-3	Unknown	Q9NQW8	Homo sapiens
MMDBp0192728	cGMP-gated cation channel alpha-1	Enzyme	P29973	Homo sapiens
MMDBp0193961	Adenylate cyclase type 10	Unknown	Q96PN6	Homo sapiens
MMDBp0193969	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	Unknown	Q9HCR9	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank
Ion Channels and Their Functional Role in Vascular Endothelium

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0001393	Guanosine triphosphate	Cyclic GMP	guanylate cyclase 1, soluble, alpha 2	VMH; KEGG	30371894
MMDBr0001899	Cyclic GMP	Guanosine monophosphate	Not Available	VMH; KEGG	30371894
MMDBr0001900	Cyclic GMP	Guanosine monophosphate	phosphodiesterase 10A	VMH; KEGG	30371894
MMDBr0001901	Cyclic GMP	Guanosine monophosphate	phosphodiesterase 9A	VMH	12565835 14527714 9624146

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Headache		Association	Human Blood	HMDB	15196297

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	96	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab	Unknown; Metabolic reconstruction
Bacteria	Actinobacteria	15	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	2	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	14	Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	4	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	1		Metabolic reconstruction
Bacteria	Cyanobacteria	1
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

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

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB
Human Blood	Detected and Quantified	0.0035	0.0003	uM	Adult (>18 years old)	Both	Sildenafil-induced headache	HMDB	15196297
Human Blood	Detected and Quantified	0.0055	0.0003	uM	Adult (>18 years old)	Male	Normal	HMDB	15196297
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0024	0.0005	uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Kidney	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Smooth muscle	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001314

DrugBank ID

DB02315

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

1485267

Wikipedia Link

Cyclic guanosine monophosphate

METLIN ID

6152

PubChem Compound

24316

PDB ID

Not Available

ChEBI ID

16356

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Rudman D, O'Brien MS, McKinney AS, Hoffman JC Jr, Patterson JH: Observations on the cyclic nucleotide concentrations in human cerebrospinal fluid. J Clin Endocrinol Metab. 1976 Jun;42(6):1088-97. doi: 10.1210/jcem-42-6-1088. [PubMed:180045 ]
Peracchi M, Lombardi L, Maiolo AT, Bamonti-Catena F, Toschi V, Chiorboli O, Mozzana R, Polli EE: Plasma and urine cyclic nucleotide levels in patients with acute and chronic leukemia. Blood. 1983 Mar;61(3):429-34. [PubMed:6297636 ]
St Pierre MV, Schlenker T, Dufour JF, Jefferson DM, Fitz JG, Arias IM: Stimulation of cyclic guanosine monophosphate production by natriuretic peptide in human biliary cells. Gastroenterology. 1998 Apr;114(4):782-90. doi: 10.1016/s0016-5085(98)70592-x. [PubMed:9516399 ]
Hunter KA, Singh GJ, Simpkins CO: Cyclic gmp is a measure of physiologic stress. J Natl Med Assoc. 2001 Jul-Aug;93(7-8):256-62. [PubMed:11491275 ]
Martina V, Origlia C, Bruno GA, Messina M, Ferri M, Pescarmona GP: Serum DHEAS levels correlate with platelet cGMP in normal women. J Endocrinol Invest. 2001 Nov;24(10):RC28-30. doi: 10.1007/BF03343922. [PubMed:11765058 ]
Barani J, Gottsater A, Mattiasson I, Lindblad B: Platelet and leukocyte activation during aortoiliac angiography and angioplasty. Eur J Vasc Endovasc Surg. 2002 Mar;23(3):220-5. doi: 10.1053/ejvs.2001.1594. [PubMed:11914008 ]
Kotikoski H, Moilanen E, Vapaatalo H, Aine E: Biochemical markers of the L-arginine-nitric oxide pathway in the aqueous humour in glaucoma patients. Acta Ophthalmol Scand. 2002 Apr;80(2):191-5. doi: 10.1034/j.1600-0420.2002.800214.x. [PubMed:11952488 ]
Zhang H, Zheng RL, Xu CY: [Relationships between lipid peroxidation or cyclic nucleotides and motility in human asthenozoosperm and normosperm]. Shi Yan Sheng Wu Xue Bao. 1998 Dec;31(4):341-6. [PubMed:12016956 ]
Engelhardt T, Galley HF, MacLennan FM, Webster NR: Saliva cyclic GMP increases during anaesthesia. Br J Anaesth. 2002 Oct;89(4):635-7. doi: 10.1093/bja/aef229. [PubMed:12393367 ]
Dobrzynski E, Montanari D, Agata J, Zhu J, Chao J, Chao L: Adrenomedullin improves cardiac function and prevents renal damage in streptozotocin-induced diabetic rats. Am J Physiol Endocrinol Metab. 2002 Dec;283(6):E1291-8. doi: 10.1152/ajpendo.00147.2002. [PubMed:12424108 ]
Willoughby SR, Stewart S, Chirkov YY, Kennedy JA, Holmes AS, Horowitz JD: Beneficial clinical effects of perhexiline in patients with stable angina pectoris and acute coronary syndromes are associated with potentiation of platelet responsiveness to nitric oxide. Eur Heart J. 2002 Dec;23(24):1946-54. doi: 10.1053/euhj.2002.3296. [PubMed:12473257 ]
Schiessl B, Strasburger CJ, Bidlingmaier M, Spannagl M, Ugele B, Kainer F: Decreasing resistance in the maternal uterine and peripheral arterial system is apparently unrelated to plasma and urinary levels of nitrite/nitrate and cyclic-guanosinmonophosohate during the course of normal pregnancies. J Perinat Med. 2003;31(4):281-6. doi: 10.1515/JPM.2003.039. [PubMed:12951882 ]
Ilecka J: Decreased cerebrospinal fluid cGMP levels in patients with amyotrophic lateral sclerosis. J Neural Transm (Vienna). 2004 Feb;111(2):167-72. doi: 10.1007/s00702-003-0086-7. Epub 2003 Dec 12. [PubMed:14767719 ]
Beltowski J, Jamroz A, Borkowska E: [Heme oxygenase and carbon monoxide in the physiology and pathology of the cardiovascular system]. Postepy Hig Med Dosw (Online). 2004 Mar 3;58:83-99. [PubMed:15069378 ]
Galassi F, Renieri G, Sodi A, Ucci F, Vannozzi L, Masini E: Nitric oxide proxies and ocular perfusion pressure in primary open angle glaucoma. Br J Ophthalmol. 2004 Jun;88(6):757-60. doi: 10.1136/bjo.2003.028357. [PubMed:15148207 ]
Bai X, Wang H, Li Z, Liu K: Correlation between blood cAMP, cGMP levels and traumatic severity in the patients with acute trauma and its clinical significance. J Huazhong Univ Sci Technolog Med Sci. 2004;24(1):68-70. doi: 10.1007/BF02830710. [PubMed:15165120 ]
Young DV, Cochran ED, Dhawan V, Earl RA, Ellis JL, Garvey DS, Janero DR, Khanapure SP, Letts LG, Melim TL, Murty MG, Shumway MJ, Wey SJ, Zemtseva IS, Selig WM: A comparison of the cyclooxygenase inhibitor-NO donors (CINOD), NMI-1182 and AZD3582, using in vitro biochemical and pharmacological methods. Biochem Pharmacol. 2005 Nov 1;70(9):1343-51. doi: 10.1016/j.bcp.2005.08.004. [PubMed:16168964 ]
Mashayekhi F, Aghahoseini F, Rezaie A, Zamani MJ, Khorasani R, Abdollahi M: Alteration of cyclic nucleotides levels and oxidative stress in saliva of human subjects with periodontitis. J Contemp Dent Pract. 2005 Nov 15;6(4):46-53. [PubMed:16299606 ]
Zhao L, Gray L, Leonardi-Bee J, Weaver CS, Heptinstall S, Bath PM: Effect of aspirin, clopidogrel and dipyridamole on soluble markers of vascular function in normal volunteers and patients with prior ischaemic stroke. Platelets. 2006 Mar;17(2):100-4. doi: 10.1080/09537100500235966. [PubMed:16421011 ]
Martina V, Benso A, Gigliardi VR, Masha A, Origlia C, Granata R, Ghigo E: Short-term dehydroepiandrosterone treatment increases platelet cGMP production in elderly male subjects. Clin Endocrinol (Oxf). 2006 Mar;64(3):260-4. doi: 10.1111/j.1365-2265.2006.02454.x. [PubMed:16487434 ]

Showing metabocard for Cyclic GMP (MMDBc0029763)

MOL for #<Metabolite:0x00007fdb04e08f08>

3D MOL for #<Metabolite:0x00007fdb04e08f08>

3D SDF for #<Metabolite:0x00007fdb04e08f08>

3D-SDF for #<Metabolite:0x00007fdb04e08f08>

PDB for #<Metabolite:0x00007fdb04e08f08>

3D PDB for #<Metabolite:0x00007fdb04e08f08>

SMILES for #<Metabolite:0x00007fdb04e08f08>

INCHI for #<Metabolite:0x00007fdb04e08f08>

Structure for #<Metabolite:0x00007fdb04e08f08>

3D Structure for #<Metabolite:0x00007fdb04e08f08>