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Showing metabocard for MCPA-thioethyl (HMDB0254367)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 13:37:51 UTC
Update Date2021-09-26 23:08:19 UTC
HMDB IDHMDB0254367
Secondary Accession NumbersNone
Metabolite Identification
Common NameMCPA-thioethyl
DescriptionMCPA-thioethyl belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Based on a literature review very few articles have been published on MCPA-thioethyl. This compound has been identified in human blood as reported by (PMID: 31557052 ). Mcpa-thioethyl is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically MCPA-thioethyl is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0254367 (MCPA-thioethyl)

  Mrv1652309112115382D          

 15 15  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
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3D MOL for HMDB0254367 (MCPA-thioethyl)

HMDB0254367
     RDKit          3D
MCPA-thioethyl
 28 28  0  0  0  0  0  0  0  0999 V2000
    4.2992   -0.0791    1.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2435    0.1244   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    1.4555   -0.4163 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099    1.0726   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5877    1.9718   -0.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9111   -0.2035    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -0.2530    0.6352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242   -0.1565   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199   -0.0020   -1.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204    0.0903   -2.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4549    0.0319   -2.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7182    0.1509   -3.5309 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518   -0.1231   -0.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7819   -0.2162   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261   -0.3871    1.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2470    0.3763    1.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2350   -1.1624    1.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941    0.5243    1.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2574    0.4285   -0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9271   -0.8273   -0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3329   -0.4078    1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256   -1.0338   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    0.0378   -1.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8239    0.2126   -3.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8049   -0.1705   -0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7058   -1.3457    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244   -0.5424    2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758    0.4336    1.7963 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  0
 10 24  1  0
 13 25  1  0
 15 26  1  0
 15 27  1  0
 15 28  1  0
M  END
Download

3D SDF for HMDB0254367 (MCPA-thioethyl)

  Mrv1652309112115382D          

 15 15  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0254367

> <DATABASE_NAME>
hmdb

> <SMILES>
CCSC(=O)COC1=C(C)C=C(Cl)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3

> <INCHI_KEY>
AZFKQCNGMSSWDS-UHFFFAOYSA-N

> <FORMULA>
C11H13ClO2S

> <MOLECULAR_WEIGHT>
244.73

> <EXACT_MASS>
244.0324785

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
25.11869689414094

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(4-chloro-2-methylphenoxy)-1-(ethylsulfanyl)ethan-1-one

> <ALOGPS_LOGP>
3.50

> <JCHEM_LOGP>
3.5645774776666665

> <ALOGPS_LOGS>
-3.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.865267089002199

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
64.31440000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.67e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mcpa-thioethyl

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0254367 (MCPA-thioethyl)

HMDB0254367
     RDKit          3D
MCPA-thioethyl
 28 28  0  0  0  0  0  0  0  0999 V2000
    4.2992   -0.0791    1.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2435    0.1244   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    1.4555   -0.4163 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099    1.0726   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5877    1.9718   -0.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9111   -0.2035    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -0.2530    0.6352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242   -0.1565   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199   -0.0020   -1.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204    0.0903   -2.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4549    0.0319   -2.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7182    0.1509   -3.5309 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518   -0.1231   -0.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7819   -0.2162   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261   -0.3871    1.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2470    0.3763    1.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2350   -1.1624    1.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941    0.5243    1.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2574    0.4285   -0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9271   -0.8273   -0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3329   -0.4078    1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256   -1.0338   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    0.0378   -1.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8239    0.2126   -3.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8049   -0.1705   -0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7058   -1.3457    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244   -0.5424    2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758    0.4336    1.7963 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  0
 10 24  1  0
 13 25  1  0
 15 26  1  0
 15 27  1  0
 15 28  1  0
M  END
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PDB for HMDB0254367 (MCPA-thioethyl)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    3  S   UNK     0       5.335  -7.700   0.000  0.00  0.00           S+0
HETATM    4  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   14 Cl   UNK     0      14.670 -10.010   0.000  0.00  0.00          Cl+0
HETATM   15  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12    8                                                       
CONECT   14   11                                                            
CONECT   15    9                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   30    0
END
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3D PDB for HMDB0254367 (MCPA-thioethyl)

COMPND    HMDB0254367
HETATM    1  C1  UNL     1       4.299  -0.079   1.443  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.244   0.124  -0.051  1.00  0.00           C  
HETATM    3  S1  UNL     1       3.093   1.455  -0.416  1.00  0.00           S  
HETATM    4  C3  UNL     1       1.410   1.073  -0.039  1.00  0.00           C  
HETATM    5  O1  UNL     1       0.588   1.972  -0.253  1.00  0.00           O  
HETATM    6  C4  UNL     1       0.911  -0.204   0.500  1.00  0.00           C  
HETATM    7  O2  UNL     1      -0.469  -0.253   0.635  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.424  -0.157  -0.345  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.120  -0.002  -1.680  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.120   0.090  -2.639  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.455   0.032  -2.305  1.00  0.00           C  
HETATM   12 CL1  UNL     1      -4.718   0.151  -3.531  1.00  0.00          CL  
HETATM   13  C9  UNL     1      -3.752  -0.123  -0.969  1.00  0.00           C  
HETATM   14  C10 UNL     1      -2.782  -0.216  -0.006  1.00  0.00           C  
HETATM   15  C11 UNL     1      -3.126  -0.387   1.450  1.00  0.00           C  
HETATM   16  H1  UNL     1       5.247   0.376   1.818  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.235  -1.162   1.676  1.00  0.00           H  
HETATM   18  H3  UNL     1       3.494   0.524   1.903  1.00  0.00           H  
HETATM   19  H4  UNL     1       5.257   0.428  -0.430  1.00  0.00           H  
HETATM   20  H5  UNL     1       3.927  -0.827  -0.558  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.333  -0.408   1.528  1.00  0.00           H  
HETATM   22  H7  UNL     1       1.326  -1.034  -0.124  1.00  0.00           H  
HETATM   23  H8  UNL     1      -0.062   0.038  -1.993  1.00  0.00           H  
HETATM   24  H9  UNL     1      -1.824   0.213  -3.688  1.00  0.00           H  
HETATM   25  H10 UNL     1      -4.805  -0.170  -0.697  1.00  0.00           H  
HETATM   26  H11 UNL     1      -3.706  -1.346   1.501  1.00  0.00           H  
HETATM   27  H12 UNL     1      -2.224  -0.542   2.043  1.00  0.00           H  
HETATM   28  H13 UNL     1      -3.776   0.434   1.796  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3   19   20
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7   21   22
CONECT    7    8
CONECT    8    9    9   14
CONECT    9   10   23
CONECT   10   11   11   24
CONECT   11   12   13
CONECT   13   14   14   25
CONECT   14   15
CONECT   15   26   27   28
END
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SMILES for HMDB0254367 (MCPA-thioethyl)

CCSC(=O)COC1=C(C)C=C(Cl)C=C1
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INCHI for HMDB0254367 (MCPA-thioethyl)

InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
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SynonymsNot Available
Chemical FormulaC11H13ClO2S
Average Molecular Weight244.73
Monoisotopic Molecular Weight244.0324785
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(ethylsulfanyl)ethan-1-one
Traditional Namemcpa-thioethyl
CAS Registry NumberNot Available
SMILES
CCSC(=O)COC1=C(C)C=C(Cl)C=C1
InChI Identifier
InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
InChI KeyAZFKQCNGMSSWDS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenol ethers
Sub ClassNot Available
Direct ParentPhenol ethers
Alternative Parents
Substituents
  • Phenoxy compound
  • Phenol ether
  • Alkyl aryl ether
  • Toluene
  • Chlorobenzene
  • Halobenzene
  • Aryl chloride
  • Aryl halide
  • Monocyclic benzene moiety
  • Carbothioic s-ester
  • Thiocarboxylic acid ester
  • Sulfenyl compound
  • Carboxylic acid derivative
  • Thiocarboxylic acid or derivatives
  • Ether
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Organosulfur compound
  • Organohalogen compound
  • Organochloride
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID30463
KEGG Compound IDC18741
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound32876
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]