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Showing metabocard for 3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid (HMDB0248059)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 01:13:49 UTC
Update Date2021-09-26 22:58:08 UTC
HMDB IDHMDB0248059
Secondary Accession NumbersNone
Metabolite Identification
Common Name3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid
Description3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid, also known as naphthenic acid or cobalt naphthenate, belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Based on a literature review a significant number of articles have been published on 3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). 3-[(1s,3r)-3-ethylcyclopentyl]propanoic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid 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 HMDB0248059 (3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid)

  Mrv1652309112103142D          

 12 12  0  0  0  0            999 V2000
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -2.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -2.1576    0.0000 O   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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0248059 (3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid)

HMDB0248059
     RDKit          3D
3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid
 30 30  0  0  0  0  0  0  0  0999 V2000
   -3.7488   -0.0834    0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9389    0.0808   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5982    0.7624   -0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7853    0.9279   -1.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955   -0.0400   -1.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    0.1278    0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5303   -0.9215    0.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932   -0.9790    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    0.2704    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1339    1.2268    1.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9294    0.4285   -0.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815   -0.1395    0.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3157   -0.8316    1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8159    0.9280    1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7762   -0.3875    0.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5075    0.7599   -1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7548   -0.8948   -0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8204    1.7436    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3426    0.7545   -2.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080    1.9513   -1.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832   -1.0784   -1.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2595    0.2547   -1.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8782    1.1626    0.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147   -0.7691    1.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102   -1.9086    0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915   -1.3082   -0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478   -1.8052    0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0494    0.8578   -0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9046    0.1153    1.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9915   -1.2058    0.5764 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
  8 26  1  0
  8 27  1  0
 11 28  1  0
 12 29  1  0
 12 30  1  0
M  END
Download

3D SDF for HMDB0248059 (3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid)

  Mrv1652309112103142D          

 12 12  0  0  0  0            999 V2000
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -2.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -2.1576    0.0000 O   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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0248059

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC1CCC(CCC(O)=O)C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O2/c1-2-8-3-4-9(7-8)5-6-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)

> <INCHI_KEY>
WVRFSLWCFASCIS-UHFFFAOYSA-N

> <FORMULA>
C10H18O2

> <MOLECULAR_WEIGHT>
170.252

> <EXACT_MASS>
170.13067982

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
20.19119501363329

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(3-ethylcyclopentyl)propanoic acid

> <ALOGPS_LOGP>
3.55

> <JCHEM_LOGP>
2.810345747666666

> <ALOGPS_LOGS>
-2.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.05400177537973

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
47.570600000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.69e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(3-ethylcyclopentyl)propanoic acid

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0248059 (3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid)

HMDB0248059
     RDKit          3D
3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid
 30 30  0  0  0  0  0  0  0  0999 V2000
   -3.7488   -0.0834    0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9389    0.0808   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5982    0.7624   -0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7853    0.9279   -1.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955   -0.0400   -1.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    0.1278    0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5303   -0.9215    0.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932   -0.9790    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    0.2704    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1339    1.2268    1.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9294    0.4285   -0.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815   -0.1395    0.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3157   -0.8316    1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8159    0.9280    1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7762   -0.3875    0.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5075    0.7599   -1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7548   -0.8948   -0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8204    1.7436    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3426    0.7545   -2.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080    1.9513   -1.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832   -1.0784   -1.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2595    0.2547   -1.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8782    1.1626    0.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147   -0.7691    1.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102   -1.9086    0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915   -1.3082   -0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478   -1.8052    0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0494    0.8578   -0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9046    0.1153    1.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9915   -1.2058    0.5764 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
  8 26  1  0
  8 27  1  0
 11 28  1  0
 12 29  1  0
 12 30  1  0
M  END
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PDB for HMDB0248059 (3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid)

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       2.393   4.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.186   1.175   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.615  -1.536   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.011  -2.943   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.894  -4.188   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.268  -5.595   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -2.426  -4.027   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6    3                                                       
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0248059 (3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid)

COMPND    HMDB0248059
HETATM    1  C1  UNL     1      -3.749  -0.083   0.832  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.939   0.081  -0.430  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.598   0.762  -0.127  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.785   0.928  -1.390  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.395  -0.040  -1.227  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.632   0.128   0.280  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.530  -0.922   0.824  1.00  0.00           C  
HETATM    8  C8  UNL     1       2.893  -0.979   0.232  1.00  0.00           C  
HETATM    9  C9  UNL     1       3.641   0.270   0.424  1.00  0.00           C  
HETATM   10  O1  UNL     1       3.134   1.227   1.036  1.00  0.00           O  
HETATM   11  O2  UNL     1       4.929   0.429  -0.065  1.00  0.00           O  
HETATM   12  C10 UNL     1      -0.781  -0.139   0.789  1.00  0.00           C  
HETATM   13  H1  UNL     1      -3.316  -0.832   1.523  1.00  0.00           H  
HETATM   14  H2  UNL     1      -3.816   0.928   1.310  1.00  0.00           H  
HETATM   15  H3  UNL     1      -4.776  -0.387   0.510  1.00  0.00           H  
HETATM   16  H4  UNL     1      -3.508   0.760  -1.099  1.00  0.00           H  
HETATM   17  H5  UNL     1      -2.755  -0.895  -0.925  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.820   1.744   0.348  1.00  0.00           H  
HETATM   19  H7  UNL     1      -1.343   0.754  -2.306  1.00  0.00           H  
HETATM   20  H8  UNL     1      -0.308   1.951  -1.355  1.00  0.00           H  
HETATM   21  H9  UNL     1       0.083  -1.078  -1.430  1.00  0.00           H  
HETATM   22  H10 UNL     1       1.260   0.255  -1.821  1.00  0.00           H  
HETATM   23  H11 UNL     1       0.878   1.163   0.500  1.00  0.00           H  
HETATM   24  H12 UNL     1       1.615  -0.769   1.914  1.00  0.00           H  
HETATM   25  H13 UNL     1       1.010  -1.909   0.682  1.00  0.00           H  
HETATM   26  H14 UNL     1       2.892  -1.308  -0.840  1.00  0.00           H  
HETATM   27  H15 UNL     1       3.448  -1.805   0.765  1.00  0.00           H  
HETATM   28  H16 UNL     1       5.049   0.858  -0.989  1.00  0.00           H  
HETATM   29  H17 UNL     1      -0.905   0.115   1.846  1.00  0.00           H  
HETATM   30  H18 UNL     1      -0.992  -1.206   0.576  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3   16   17
CONECT    3    4   12   18
CONECT    4    5   19   20
CONECT    5    6   21   22
CONECT    6    7   12   23
CONECT    7    8   24   25
CONECT    8    9   26   27
CONECT    9   10   10   11
CONECT   11   28
CONECT   12   29   30
END
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SMILES for HMDB0248059 (3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid)

CCC1CCC(CCC(O)=O)C1
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INCHI for HMDB0248059 (3-[(1S,3R)-3-Ethylcyclopentyl]propanoic acid)

InChI=1S/C10H18O2/c1-2-8-3-4-9(7-8)5-6-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
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Synonyms
ValueSource
3-[(1S,3R)-3-Ethylcyclopentyl]propanoateGenerator
Cobalt naphthenateHMDB
Lead naphthenateHMDB
Naphthenic acidHMDB
Naphthenic acid, lead saltHMDB
Chemical FormulaC10H18O2
Average Molecular Weight170.252
Monoisotopic Molecular Weight170.13067982
IUPAC Name3-(3-ethylcyclopentyl)propanoic acid
Traditional Name3-(3-ethylcyclopentyl)propanoic acid
CAS Registry NumberNot Available
SMILES
CCC1CCC(CCC(O)=O)C1
InChI Identifier
InChI=1S/C10H18O2/c1-2-8-3-4-9(7-8)5-6-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChI KeyWVRFSLWCFASCIS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acids
Direct ParentCarboxylic acids
Alternative Parents
Substituents
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
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 ID17215358
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound20849290
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 ]