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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-08-13 10:11:15 UTC

Update Date

2023-02-21 17:16:53 UTC

HMDB ID

HMDB0004063

Secondary Accession Numbers

HMDB04063

Metabolite Identification

Common Name

Metanephrine

Description

Metanephrine is a metabolite of epinephrine created by action of catechol O-methyltransferase on epinephrine. Technically it is a product of epinephrine O-methylation. It is a commonly occurring, pharmacologically and physiologically inactive metabolite of epinephrine. The measurement of plasma free metanephrines is considered to be the best tool in the diagnosis of pheochromocytoma, a rare kind of adrenal medullary neoplasm. In adrenal chromaffin cells, leakage of norepinephrine and epinephrine from storage granules leads to substantial intracellular production of the O-methylated metabolite metanephrine. In fact, the adrenals constitute the single largest source out of any organ system including the liver for circulating metanephrine. In humans, about 93 percent of circulating metanephrine is derived from catecholamines metabolized within adrenal chromaffin cells. (PMID 15317907 ).

Structure

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

HMDB0004063
     RDKit          3D
Metanephrine
 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.9743    1.0346   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    0.2344    0.7494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105   -0.5254    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454    0.4086    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972    1.0981    1.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0964   -0.2935   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1353   -1.5971   -0.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -2.1873   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539   -1.4776   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889   -2.0656   -1.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -0.1857   -0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    0.6002   -0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718    1.9313    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2915    0.3836   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0944    0.4852   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650    1.8684   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9771    1.4401   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1922   -0.3540    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112   -1.2586    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4965   -1.0404   -0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642    1.1866   -0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444    0.4172    2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7887   -2.1259   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847   -3.2008   -1.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838   -3.0402   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161    1.9153    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5664    2.4067    0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    2.5172   -0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691    1.4246    0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14  6  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  7 23  1  0
  8 24  1  0
 10 25  1  0
 13 26  1  0
 13 27  1  0
 13 28  1  0
 14 29  1  0
M  END


  Mrv0541 02231219522D          

 14 14  0  0  0  0            999 V2000
   26.0114  -11.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7261   -8.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4405  -12.6040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1550   -8.0664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4405   -9.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1550   -8.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2969  -11.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8694   -7.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7261  -11.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4405  -11.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4405  -10.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7261  -10.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1550  -11.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1550  -10.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0004063

> <DATABASE_NAME>
hmdb

> <SMILES>
CNCC(O)C1=CC(OC)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3

> <INCHI_KEY>
JWJCTZKFYGDABJ-UHFFFAOYSA-N

> <FORMULA>
C10H15NO3

> <MOLECULAR_WEIGHT>
197.231

> <EXACT_MASS>
197.105193351

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
21.126091348772846

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol

> <ALOGPS_LOGP>
-0.27

> <JCHEM_LOGP>
-0.0006810773060760073

> <ALOGPS_LOGS>
-1.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.2112903807181

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.051412961702267

> <JCHEM_PKA_STRONGEST_BASIC>
9.249028257921951

> <JCHEM_POLAR_SURFACE_AREA>
61.72

> <JCHEM_REFRACTIVITY>
53.71260000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.30e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+/-)-metanephrine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0004063
     RDKit          3D
Metanephrine
 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.9743    1.0346   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    0.2344    0.7494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105   -0.5254    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454    0.4086    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972    1.0981    1.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0964   -0.2935   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1353   -1.5971   -0.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -2.1873   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539   -1.4776   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889   -2.0656   -1.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -0.1857   -0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    0.6002   -0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718    1.9313    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2915    0.3836   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0944    0.4852   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650    1.8684   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9771    1.4401   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1922   -0.3540    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112   -1.2586    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4965   -1.0404   -0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642    1.1866   -0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444    0.4172    2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7887   -2.1259   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847   -3.2008   -1.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838   -3.0402   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161    1.9153    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5664    2.4067    0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    2.5172   -0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691    1.4246    0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14  6  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  7 23  1  0
  8 24  1  0
 10 25  1  0
 13 26  1  0
 13 27  1  0
 13 28  1  0
 14 29  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  O   UNK     0      48.555 -21.987   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      49.889 -16.597   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      51.222 -23.527   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0      52.556 -15.057   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      51.222 -17.367   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      52.556 -16.597   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      47.221 -21.217   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      53.890 -14.287   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      49.889 -21.217   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      51.222 -21.987   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      51.222 -18.907   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      49.889 -19.677   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      52.556 -21.217   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      52.556 -19.677   0.000  0.00  0.00           C+0
CONECT    1    7    9                                                       
CONECT    2    5                                                            
CONECT    3   10                                                            
CONECT    4    6    8                                                       
CONECT    5    2    6   11                                                  
CONECT    6    4    5                                                       
CONECT    7    1                                                            
CONECT    8    4                                                            
CONECT    9    1   10   12                                                  
CONECT   10    3    9   13                                                  
CONECT   11    5   12   14                                                  
CONECT   12    9   11                                                       
CONECT   13   10   14                                                       
CONECT   14   11   13                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END

COMPND    HMDB0004063
HETATM    1  C1  UNL     1      -3.974   1.035  -0.325  1.00  0.00           C  
HETATM    2  N1  UNL     1      -3.479   0.234   0.749  1.00  0.00           N  
HETATM    3  C2  UNL     1      -2.311  -0.525   0.348  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.145   0.409   0.110  1.00  0.00           C  
HETATM    5  O1  UNL     1      -0.897   1.098   1.323  1.00  0.00           O  
HETATM    6  C4  UNL     1       0.096  -0.294  -0.224  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.135  -1.597  -0.652  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.369  -2.187  -0.949  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.554  -1.478  -0.818  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.789  -2.066  -1.114  1.00  0.00           O  
HETATM   11  C8  UNL     1       2.508  -0.186  -0.394  1.00  0.00           C  
HETATM   12  O3  UNL     1       3.642   0.600  -0.234  1.00  0.00           O  
HETATM   13  C9  UNL     1       3.572   1.931   0.208  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.291   0.384  -0.105  1.00  0.00           C  
HETATM   15  H1  UNL     1      -4.094   0.485  -1.281  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.265   1.868  -0.503  1.00  0.00           H  
HETATM   17  H3  UNL     1      -4.977   1.440  -0.073  1.00  0.00           H  
HETATM   18  H4  UNL     1      -4.192  -0.354   1.225  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.111  -1.259   1.136  1.00  0.00           H  
HETATM   20  H6  UNL     1      -2.496  -1.040  -0.639  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.364   1.187  -0.638  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.944   0.417   2.052  1.00  0.00           H  
HETATM   23  H9  UNL     1      -0.789  -2.126  -0.746  1.00  0.00           H  
HETATM   24  H10 UNL     1       1.385  -3.201  -1.280  1.00  0.00           H  
HETATM   25  H11 UNL     1       3.784  -3.040  -1.430  1.00  0.00           H  
HETATM   26  H12 UNL     1       3.216   1.915   1.280  1.00  0.00           H  
HETATM   27  H13 UNL     1       4.566   2.407   0.178  1.00  0.00           H  
HETATM   28  H14 UNL     1       2.864   2.517  -0.429  1.00  0.00           H  
HETATM   29  H15 UNL     1       1.269   1.425   0.236  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   18
CONECT    3    4   19   20
CONECT    4    5    6   21
CONECT    5   22
CONECT    6    7    7   14
CONECT    7    8   23
CONECT    8    9    9   24
CONECT    9   10   11
CONECT   10   25
CONECT   11   12   14   14
CONECT   12   13
CONECT   13   26   27   28
CONECT   14   29
END

HMDB0004063
     RDKit          3D
Metanephrine
 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.9743    1.0346   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    0.2344    0.7494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105   -0.5254    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454    0.4086    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972    1.0981    1.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0964   -0.2935   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1353   -1.5971   -0.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -2.1873   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539   -1.4776   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889   -2.0656   -1.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -0.1857   -0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    0.6002   -0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718    1.9313    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2915    0.3836   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0944    0.4852   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650    1.8684   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9771    1.4401   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1922   -0.3540    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112   -1.2586    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4965   -1.0404   -0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642    1.1866   -0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444    0.4172    2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7887   -2.1259   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847   -3.2008   -1.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838   -3.0402   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161    1.9153    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5664    2.4067    0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    2.5172   -0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691    1.4246    0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14  6  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  7 23  1  0
  8 24  1  0
 10 25  1  0
 13 26  1  0
 13 27  1  0
 13 28  1  0
 14 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(+/-)-metanephrine	HMDB
3-Methoxy-adrenaline	HMDB
3-Methoxyadrenaline	HMDB
3-O-Methyl-adrenaline	HMDB
3-O-Methylepinephrine	HMDB
4-Hydroxy-3-methoxy-N-methylphenethanolamine	HMDB
DL-3-O-Methyladrenaline	HMDB
DL-Metanephrine	HMDB
m-O-Methyladrenaline	HMDB
Metadrenaline	HMDB

Chemical Formula

C₁₀H₁₅NO₃

Average Molecular Weight

197.231

Monoisotopic Molecular Weight

197.105193351

IUPAC Name

4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol

Traditional Name

(+/-)-metanephrine

CAS Registry Number

5001-33-2

SMILES

CNCC(O)C1=CC(OC)=C(O)C=C1

InChI Identifier

InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3

InChI Key

JWJCTZKFYGDABJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Methoxyphenol
Phenoxy compound
Anisole
Phenol ether
Methoxybenzene
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Monocyclic benzene moiety
Secondary alcohol
1,2-aminoalcohol
Secondary amine
Ether
Secondary aliphatic amine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Amine
Organic nitrogen compound
Alcohol
Aromatic alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

a guaiacol (CPD-11877 )

Ontology

Physiological effect

Health effect

Endocrine system disorder

Adrenal disorder

Pheochromocytoma (HMDB: HMDB0004063)

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0004063)
Extracellular (HMDB: HMDB0004063)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0004063)
Cerebrospinal fluid (HMDB: HMDB0004063)
Cerebrospinal Fluid (CSF) (PMID: 4073504)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0004063)

Organ

Gland

Adrenal Gland (HMDB: HMDB0004063)
Adrenal Gland (HMDB: HMDB0004063)

Organ substructure

Adrenal medulla (HMDB: HMDB0004063)

Source

Endogenous

Endogenous (HMDB: HMDB0004063)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Tyrosine Metabolism (HMDB: HMDB0004063)
Tyrosine Metabolism (HMDB: HMDB0004063)

Disease pathway

Alkaptonuria (PathBank: SMP0000169)
Hawkinsinuria (PathBank: SMP0000190)
Tyrosinemia Type I (PathBank: SMP0000218)
Tyrosinemia, Transient, of the Newborn (PathBank: SMP0000494)
Dopamine beta-Hydroxylase Deficiency (PathBank: SMP0000498)
Monoamine Oxidase-A Deficiency (MAO-A) (PathBank: SMP0000533)

Drug action pathway

Disulfiram Action Pathway (PathBank: SMP0000429)
Disulfiram Action Pathway (HMDB: HMDB0004063)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	13 g/L	ALOGPS
logP	-0.27	ALOGPS
logP	-0.00068	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	10.05	ChemAxon
pKa (Strongest Basic)	9.25	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	61.72 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	53.71 m³·mol⁻¹	ChemAxon
Polarizability	21.13 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	145.208	31661259
DarkChem	[M-H]-	144.036	31661259
DeepCCS	[M+H]+	144.098	30932474
DeepCCS	[M-H]-	140.9	30932474
DeepCCS	[M-2H]-	177.654	30932474
DeepCCS	[M+Na]+	153.192	30932474
AllCCS	[M+H]+	145.2	32859911
AllCCS	[M+H-H2O]+	141.1	32859911
AllCCS	[M+NH4]+	149.0	32859911
AllCCS	[M+Na]+	150.1	32859911
AllCCS	[M-H]-	145.2	32859911
AllCCS	[M+Na-2H]-	146.1	32859911
AllCCS	[M+HCOO]-	147.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Metanephrine	CNCC(O)C1=CC(OC)=C(O)C=C1	2827.4	Standard polar	33892256
Metanephrine	CNCC(O)C1=CC(OC)=C(O)C=C1	1736.0	Standard non polar	33892256
Metanephrine	CNCC(O)C1=CC(OC)=C(O)C=C1	1719.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Metanephrine,1TMS,isomer #1	CNCC(O[Si](C)(C)C)C1=CC=C(O)C(OC)=C1	1702.2	Semi standard non polar	33892256
Metanephrine,1TMS,isomer #2	CNCC(O)C1=CC=C(O[Si](C)(C)C)C(OC)=C1	1787.3	Semi standard non polar	33892256
Metanephrine,1TMS,isomer #3	COC1=CC(C(O)CN(C)[Si](C)(C)C)=CC=C1O	1893.2	Semi standard non polar	33892256
Metanephrine,2TMS,isomer #1	CNCC(O[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C(OC)=C1	1718.6	Semi standard non polar	33892256
Metanephrine,2TMS,isomer #2	COC1=CC(C(CN(C)[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	1856.4	Semi standard non polar	33892256
Metanephrine,2TMS,isomer #3	COC1=CC(C(O)CN(C)[Si](C)(C)C)=CC=C1O[Si](C)(C)C	1930.0	Semi standard non polar	33892256
Metanephrine,3TMS,isomer #1	COC1=CC(C(CN(C)[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	1912.7	Semi standard non polar	33892256
Metanephrine,3TMS,isomer #1	COC1=CC(C(CN(C)[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	1951.0	Standard non polar	33892256
Metanephrine,3TMS,isomer #1	COC1=CC(C(CN(C)[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2065.6	Standard polar	33892256
Metanephrine,1TBDMS,isomer #1	CNCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O)C(OC)=C1	1959.6	Semi standard non polar	33892256
Metanephrine,1TBDMS,isomer #2	CNCC(O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1	2038.8	Semi standard non polar	33892256
Metanephrine,1TBDMS,isomer #3	COC1=CC(C(O)CN(C)[Si](C)(C)C(C)(C)C)=CC=C1O	2152.9	Semi standard non polar	33892256
Metanephrine,2TBDMS,isomer #1	CNCC(O[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1	2205.9	Semi standard non polar	33892256
Metanephrine,2TBDMS,isomer #2	COC1=CC(C(CN(C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	2370.2	Semi standard non polar	33892256
Metanephrine,2TBDMS,isomer #3	COC1=CC(C(O)CN(C)[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2429.3	Semi standard non polar	33892256
Metanephrine,3TBDMS,isomer #1	COC1=CC(C(CN(C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2609.2	Semi standard non polar	33892256
Metanephrine,3TBDMS,isomer #1	COC1=CC(C(CN(C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2592.1	Standard non polar	33892256
Metanephrine,3TBDMS,isomer #1	COC1=CC(C(CN(C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2448.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Metanephrine GC-MS (3 TMS)	splash10-014i-0910000000-a886bef599ae583766b9	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Metanephrine GC-MS (Non-derivatized)	splash10-014i-0910000000-a886bef599ae583766b9	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Metanephrine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9300000000-99e319cf43defe7cc611	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Metanephrine GC-MS (2 TMS) - 70eV, Positive	splash10-0g6r-9553000000-f11ff40fb7a8af16bb25	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Metanephrine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 10V, Positive-QTOF	splash10-001j-0900000000-4c31604c1b2a54419f92	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 20V, Positive-QTOF	splash10-001j-0900000000-12556e41dd73a4575162	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 40V, Positive-QTOF	splash10-0f6w-4900000000-403de00b0b43ed22918f	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 10V, Negative-QTOF	splash10-0002-0900000000-3d29615883725ba8e07c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 20V, Negative-QTOF	splash10-0032-1900000000-1ccaa0d8ce9764cdfe35	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 40V, Negative-QTOF	splash10-0pic-4900000000-051892c7895245a3de0c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 10V, Positive-QTOF	splash10-001j-0900000000-545ae65ccf6b1aaf8f43	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 20V, Positive-QTOF	splash10-001a-1900000000-ad33b1d4593df03f60e1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 40V, Positive-QTOF	splash10-000i-5900000000-61cd5865cf7abd2bba67	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 10V, Negative-QTOF	splash10-0002-0900000000-33b506e73b8f2abe6bdb	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 20V, Negative-QTOF	splash10-000b-0900000000-361e5b74103dd493ac47	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Metanephrine 40V, Negative-QTOF	splash10-0a4m-6900000000-49bdcf483f24e0b4ffd4	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Urine

Tissue Locations

Adrenal Gland
Adrenal Medulla

Pathways

Name	SMPDB/PathBank	KEGG
Tyrosine metabolism	Not Available
Alkaptonuria		Not Available
Hawkinsinuria		Not Available
Tyrosinemia Type I		Not Available
Tyrosinemia, transient, of the newborn		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.0016 (0.00018-0.0025) uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.0004 uM	Not Specified	Not Specified	Normal	4073504	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Detected and Quantified	1.08 +/- 2.95 umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	2026685	details
Urine	Detected and Quantified	0.0026 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	19309105	details
Urine	Detected and Quantified	<0.145 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	978-0-911910-19-3	details
Urine	Detected and Quantified	< 0.467 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	978-0-911910-19-3	details
Urine	Detected and Quantified	0.0011 +/- 0.00034 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scientific ... West Cadwell, N.J... Basel, Switzerlan...	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.00054 +/- 0.002 uM	Adult (>18 years old)	Not Specified	Pheochromocytoma	9626157	details

Associated Disorders and Diseases

Disease References

Pheochromocytoma
Eisenhofer G, Keiser H, Friberg P, Mezey E, Huynh TT, Hiremagalur B, Ellingson T, Duddempudi S, Eijsbouts A, Lenders JW: Plasma metanephrines are markers of pheochromocytoma produced by catechol-O-methyltransferase within tumors. J Clin Endocrinol Metab. 1998 Jun;83(6):2175-85. [PubMed:9626157 ]

Associated OMIM IDs

171300 (Pheochromocytoma)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023296

KNApSAcK ID

Not Available

Chemspider ID

19844

KEGG Compound ID

C05588

BioCyc ID

Not Available

BiGG ID

46078

Wikipedia Link

Metanephrine

METLIN ID

PubChem Compound

21100

PDB ID

Not Available

ChEBI ID

144365

Food Biomarker Ontology

Not Available

VMH ID

MEPI

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Beck O, Faull KF: Extractive acylation and mass spectrometric assay of 3-methoxytyramine, normetanephrine, and metanephrine in cerebrospinal fluid. Anal Biochem. 1985 Sep;149(2):492-500. [PubMed:4073504 ]
Goldstein DS, Eisenhofer G, Kopin IJ: Sources and significance of plasma levels of catechols and their metabolites in humans. J Pharmacol Exp Ther. 2003 Jun;305(3):800-11. Epub 2003 Mar 20. [PubMed:12649306 ]
Uchikura K, Horikawa R, Tanimura T, Kabasawa Y: Determination of catecholamines by radioenzymatic assay using ion-pair liquid chromatography. J Chromatogr. 1981 Apr 10;223(1):41-50. [PubMed:7251775 ]
Eisenhofer G, Keiser H, Friberg P, Mezey E, Huynh TT, Hiremagalur B, Ellingson T, Duddempudi S, Eijsbouts A, Lenders JW: Plasma metanephrines are markers of pheochromocytoma produced by catechol-O-methyltransferase within tumors. J Clin Endocrinol Metab. 1998 Jun;83(6):2175-85. [PubMed:9626157 ]
Eisenhofer G, Kopin IJ, Goldstein DS: Catecholamine metabolism: a contemporary view with implications for physiology and medicine. Pharmacol Rev. 2004 Sep;56(3):331-49. [PubMed:15317907 ]
Schmidt J, Mohr VD, Metzger P, Zirngibl H: Posttraumatic hypertension secondary to adrenal hemorrhage mimicking pheochromocytoma: case report. J Trauma. 1999 May;46(5):973-5. [PubMed:10338428 ]
Higa S, Suzuki T, Sakoda S, Kishimoto S, Takaba Y, Nakajima A, Markey SP: Disturbed function of the pineal gland in familial amyloid polyneuropathy. J Neural Transm. 1987;69(1-2):97-103. [PubMed:3035087 ]
van Dam PS, van Gils A, Canninga-van Dijk MR, de Koning EJ, Hofland LJ, de Herder WW: Sequential ACTH and catecholamine secretion in a phaeochromocytoma. Eur J Endocrinol. 2002 Aug;147(2):201-6. [PubMed:12153741 ]
Artal R, Platt LD, Kammula RK, Strassner HT, Gratacos J, Golde SH: Sympathoadrenal activity in infants of diabetic mothers. Am J Obstet Gynecol. 1982 Feb 15;142(4):436-9. [PubMed:7058845 ]
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Enzymes

Enzyme Details

1. Amine oxidase [flavin-containing] B

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOB preferentially degrades benzylamine and phenylethylamine.
Gene Name:: MAOB
Uniprot ID:: P27338
Molecular weight:: 58762.475

Reactions

Metanephrine + Water + Oxygen → 3-Methoxy-4-hydroxyphenylglycolaldehyde + Hydrogen peroxide + Methylamine	details

Enzyme Details

2. Amine oxidase [flavin-containing] A

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOA preferentially oxidizes biogenic amines such as 5-hydroxytryptamine (5-HT), norepinephrine and epinephrine.
Gene Name:: MAOA
Uniprot ID:: P21397
Molecular weight:: 59681.27

Reactions

Metanephrine + Water + Oxygen → 3-Methoxy-4-hydroxyphenylglycolaldehyde + Hydrogen peroxide + Methylamine	details

Enzyme Details

3. Catechol O-methyltransferase

General function:: Involved in magnesium ion binding
Specific function:: Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:: COMT
Uniprot ID:: P21964
Molecular weight:: 30036.77

Reactions

S-Adenosylmethionine + Epinephrine → S-Adenosylhomocysteine + Metanephrine	details

Showing metabocard for Metanephrine (HMDB0004063)

MOL for HMDB0004063 (Metanephrine)

3D MOL for HMDB0004063 (Metanephrine)

3D SDF for HMDB0004063 (Metanephrine)

3D-SDF for HMDB0004063 (Metanephrine)

PDB for HMDB0004063 (Metanephrine)

3D PDB for HMDB0004063 (Metanephrine)

SMILES for HMDB0004063 (Metanephrine)

INCHI for HMDB0004063 (Metanephrine)

Structure for HMDB0004063 (Metanephrine)

3D Structure for HMDB0004063 (Metanephrine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

Reactions

Reactions

Reactions