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Showing metabocard for N-Acetyl-DL-alanine (HMDB0255053)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 14:35:09 UTC
Update Date2022-09-22 17:45:20 UTC
HMDB IDHMDB0255053
Secondary Accession NumbersNone
Metabolite Identification
Common NameN-Acetyl-DL-alanine
Description2-[(1-hydroxyethylidene)amino]propanoic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Based on a literature review very few articles have been published on 2-[(1-hydroxyethylidene)amino]propanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). N-acetyl-dl-alanine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N-Acetyl-DL-alanine 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 HMDB0255053 (N-Acetyl-DL-alanine)


  Mrv1533004231518272D          

  9  8  0  0  0  0            999 V2000
    1.9520    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    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  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
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3D MOL for HMDB0255053 (N-Acetyl-DL-alanine)

HMDB0255053
     RDKit          3D
N-Acetyl-DL-alanine
 18 17  0  0  0  0  0  0  0  0999 V2000
    2.7838   -0.3264    1.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555    0.2730    0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1822    1.3696    1.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -0.3301    0.0827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7591    0.3277   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9381    0.6026   -1.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106   -0.4891    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7126   -1.6148    0.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862   -0.0108    0.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    0.0125    2.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -1.4275    1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797    0.0185    0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251   -1.2424   -0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848    1.2931    0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178   -0.1026   -2.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835    1.6289   -1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788    0.4965   -1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426   -0.4789   -0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
  9 18  1  0
M  END
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3D SDF for HMDB0255053 (N-Acetyl-DL-alanine)


  Mrv1533004231518272D          

  9  8  0  0  0  0            999 V2000
    1.9520    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    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  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0255053

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(NC(C)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)

> <INCHI_KEY>
KTHDTJVBEPMMGL-UHFFFAOYSA-N

> <FORMULA>
C5H9NO3

> <MOLECULAR_WEIGHT>
131.131

> <EXACT_MASS>
131.058243154

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
12.506373250875933

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-acetamidopropanoic acid

> <ALOGPS_LOGP>
-0.53

> <JCHEM_LOGP>
-0.7598647116666665

> <ALOGPS_LOGS>
-0.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.629254426140378

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.889227666212694

> <JCHEM_PKA_STRONGEST_BASIC>
-1.96472012205726

> <JCHEM_POLAR_SURFACE_AREA>
66.4

> <JCHEM_REFRACTIVITY>
29.941100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.36e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-acetamidopropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0255053 (N-Acetyl-DL-alanine)

HMDB0255053
     RDKit          3D
N-Acetyl-DL-alanine
 18 17  0  0  0  0  0  0  0  0999 V2000
    2.7838   -0.3264    1.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555    0.2730    0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1822    1.3696    1.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -0.3301    0.0827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7591    0.3277   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9381    0.6026   -1.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106   -0.4891    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7126   -1.6148    0.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862   -0.0108    0.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    0.0125    2.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -1.4275    1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797    0.0185    0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251   -1.2424   -0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848    1.2931    0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178   -0.1026   -2.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835    1.6289   -1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788    0.4965   -1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426   -0.4789   -0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
  9 18  1  0
M  END
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PDB for HMDB0255053 (N-Acetyl-DL-alanine)

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  C   UNK     0       3.644   3.644   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       2.310   1.334   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.357   1.334   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.976   3.644   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    2    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for HMDB0255053 (N-Acetyl-DL-alanine)

COMPND    HMDB0255053
HETATM    1  C1  UNL     1       2.784  -0.326   1.229  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.455   0.273   0.934  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.182   1.370   1.476  1.00  0.00           O  
HETATM    4  N1  UNL     1       0.504  -0.330   0.083  1.00  0.00           N  
HETATM    5  C3  UNL     1      -0.759   0.328  -0.144  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.938   0.603  -1.626  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.911  -0.489   0.276  1.00  0.00           C  
HETATM    8  O2  UNL     1      -1.713  -1.615   0.764  1.00  0.00           O  
HETATM    9  O3  UNL     1      -3.186  -0.011   0.130  1.00  0.00           O  
HETATM   10  H1  UNL     1       3.180   0.013   2.187  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.703  -1.428   1.187  1.00  0.00           H  
HETATM   12  H3  UNL     1       3.480   0.019   0.427  1.00  0.00           H  
HETATM   13  H4  UNL     1       0.725  -1.242  -0.372  1.00  0.00           H  
HETATM   14  H5  UNL     1      -0.785   1.293   0.441  1.00  0.00           H  
HETATM   15  H6  UNL     1      -0.318  -0.103  -2.184  1.00  0.00           H  
HETATM   16  H7  UNL     1      -0.583   1.629  -1.826  1.00  0.00           H  
HETATM   17  H8  UNL     1      -1.979   0.497  -1.950  1.00  0.00           H  
HETATM   18  H9  UNL     1      -3.843  -0.479  -0.477  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    3    4
CONECT    4    5   13
CONECT    5    6    7   14
CONECT    6   15   16   17
CONECT    7    8    8    9
CONECT    9   18
END
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SMILES for HMDB0255053 (N-Acetyl-DL-alanine)

CC(NC(C)=O)C(O)=O
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INCHI for HMDB0255053 (N-Acetyl-DL-alanine)

InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-[(1-Hydroxyethylidene)amino]propanoateGenerator
N-AcetylalanineMeSH
N-Acetyl-L-alanineMeSH
Chemical FormulaC5H9NO3
Average Molecular Weight131.131
Monoisotopic Molecular Weight131.058243154
IUPAC Name2-acetamidopropanoic acid
Traditional Name2-acetamidopropanoic acid
CAS Registry NumberNot Available
SMILES
CC(NC(C)=O)C(O)=O
InChI Identifier
InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)
InChI KeyKTHDTJVBEPMMGL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-alpha amino acids
Alternative Parents
Substituents
  • N-acyl-alpha-amino acid
  • Alanine or derivatives
  • Acetamide
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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
PropertyValueSource
logP-0.53ALOGPS
logP-0.76ChemAxon
logS-0.48ALOGPS
pKa (Strongest Acidic)3.89ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.4 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity29.94 m³·mol⁻¹ChemAxon
Polarizability12.51 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+125.41330932474
DeepCCS[M-H]-122.6330932474
DeepCCS[M-2H]-159.09430932474
DeepCCS[M+Na]+133.91930932474
AllCCS[M+H]+131.432859911
AllCCS[M+H-H2O]+127.432859911
AllCCS[M+NH4]+135.232859911
AllCCS[M+Na]+136.332859911
AllCCS[M-H]-126.132859911
AllCCS[M+Na-2H]-128.932859911
AllCCS[M+HCOO]-132.032859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 20229.8042 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.14 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid995.1 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid336.1 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid63.7 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid193.5 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid58.3 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid252.7 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid299.0 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)265.7 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid629.0 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid137.7 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid824.9 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid201.0 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid200.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate646.2 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA277.9 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water270.4 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-Acetyl-DL-alanineCC(NC(C)=O)C(O)=O2167.2Standard polar33892256
N-Acetyl-DL-alanineCC(NC(C)=O)C(O)=O1157.5Standard non polar33892256
N-Acetyl-DL-alanineCC(NC(C)=O)C(O)=O1295.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Acetyl-DL-alanine,2TMS,isomer #1CC(=O)N(C(C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1313.4Semi standard non polar33892256
N-Acetyl-DL-alanine,2TMS,isomer #1CC(=O)N(C(C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1289.5Standard non polar33892256
N-Acetyl-DL-alanine,2TMS,isomer #1CC(=O)N(C(C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1438.6Standard polar33892256
N-Acetyl-DL-alanine,2TBDMS,isomer #1CC(=O)N(C(C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1771.9Semi standard non polar33892256
N-Acetyl-DL-alanine,2TBDMS,isomer #1CC(=O)N(C(C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1750.4Standard non polar33892256
N-Acetyl-DL-alanine,2TBDMS,isomer #1CC(=O)N(C(C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1744.4Standard polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID7068
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
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 ]