Hmdb loader

Showing metabocard for 8-Mercaptoquinoline (HMDB0247448)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 00:27:16 UTC
Update Date2021-09-26 22:57:09 UTC
HMDB IDHMDB0247448
Secondary Accession NumbersNone
Metabolite Identification
Common Name8-Mercaptoquinoline
Description8-Mercaptoquinoline, also known as 8-MQ or 8-quinolinethiol, belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. Based on a literature review very few articles have been published on 8-Mercaptoquinoline. This compound has been identified in human blood as reported by (PMID: 31557052 ). 8-mercaptoquinoline is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 8-Mercaptoquinoline 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
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0247448 (8-Mercaptoquinoline)


  Mrv1652309112102272D          

 11 12  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  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
  3 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0247448 (8-Mercaptoquinoline)

HMDB0247448
     RDKit          3D
8-Mercaptoquinoline
 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.3829    2.7330   -1.0623 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867    1.0655   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3019    0.3205   -0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2089   -0.9840    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437   -1.5117    0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -0.7773    0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4599   -1.3016    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526   -0.5100    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.7756   -0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771    1.2532   -0.5318 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0715    0.5283   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792    3.6067   -0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2810    0.7536   -0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188   -1.5090    0.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924   -2.5257    0.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5496   -2.3205    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547   -0.9317    0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3131    1.3352   -0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  6  1  0
  1 12  1  0
  3 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
M  END
Download

3D SDF for HMDB0247448 (8-Mercaptoquinoline)


  Mrv1652309112102272D          

 11 12  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  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
  3 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247448

> <DATABASE_NAME>
hmdb

> <SMILES>
SC1=CC=CC2=C1N=CC=C2

> <INCHI_IDENTIFIER>
InChI=1S/C9H7NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H

> <INCHI_KEY>
MHTSJSRDFXZFHQ-UHFFFAOYSA-N

> <FORMULA>
C9H7NS

> <MOLECULAR_WEIGHT>
161.22

> <EXACT_MASS>
161.029920403

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
17.002372451055344

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
quinoline-8-thiol

> <ALOGPS_LOGP>
2.29

> <JCHEM_LOGP>
2.2241076509999997

> <ALOGPS_LOGS>
-3.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.286193126702815

> <JCHEM_PKA_STRONGEST_BASIC>
3.674731747807543

> <JCHEM_POLAR_SURFACE_AREA>
12.89

> <JCHEM_REFRACTIVITY>
47.98910000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.36e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
quinoline-8-thiol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0247448 (8-Mercaptoquinoline)

HMDB0247448
     RDKit          3D
8-Mercaptoquinoline
 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.3829    2.7330   -1.0623 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867    1.0655   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3019    0.3205   -0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2089   -0.9840    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437   -1.5117    0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -0.7773    0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4599   -1.3016    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526   -0.5100    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.7756   -0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771    1.2532   -0.5318 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0715    0.5283   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792    3.6067   -0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2810    0.7536   -0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188   -1.5090    0.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924   -2.5257    0.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5496   -2.3205    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547   -0.9317    0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3131    1.3352   -0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  6  1  0
  1 12  1  0
  3 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
M  END
Download

PDB for HMDB0247448 (8-Mercaptoquinoline)

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      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  S   UNK     0       0.000   1.540   0.000  0.00  0.00           S+0
HETATM    8  N   UNK     0       2.667  -0.000   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    4    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    3                                                       
MASTER        0    0    0    0    0    0    0    0   11    0   24    0
END
Download

3D PDB for HMDB0247448 (8-Mercaptoquinoline)

COMPND    HMDB0247448
HETATM    1  S1  UNL     1      -1.383   2.733  -1.062  1.00  0.00           S  
HETATM    2  C1  UNL     1      -1.187   1.065  -0.459  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.302   0.320  -0.187  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.209  -0.984   0.285  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.944  -1.512   0.474  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.200  -0.777   0.205  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.460  -1.302   0.393  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.553  -0.510   0.104  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.417   0.776  -0.361  1.00  0.00           C  
HETATM   10  N1  UNL     1       1.177   1.253  -0.532  1.00  0.00           N  
HETATM   11  C9  UNL     1       0.071   0.528  -0.267  1.00  0.00           C  
HETATM   12  H1  UNL     1      -0.979   3.607  -0.017  1.00  0.00           H  
HETATM   13  H2  UNL     1      -3.281   0.754  -0.342  1.00  0.00           H  
HETATM   14  H3  UNL     1      -3.119  -1.509   0.477  1.00  0.00           H  
HETATM   15  H4  UNL     1      -0.892  -2.526   0.841  1.00  0.00           H  
HETATM   16  H5  UNL     1       1.550  -2.321   0.761  1.00  0.00           H  
HETATM   17  H6  UNL     1       3.555  -0.932   0.254  1.00  0.00           H  
HETATM   18  H7  UNL     1       3.313   1.335  -0.566  1.00  0.00           H  
CONECT    1    2   12
CONECT    2    3    3   11
CONECT    3    4   13
CONECT    4    5    5   14
CONECT    5    6   15
CONECT    6    7    7   11
CONECT    7    8   16
CONECT    8    9    9   17
CONECT    9   10   18
CONECT   10   11   11
END
Download

SMILES for HMDB0247448 (8-Mercaptoquinoline)

SC1=CC=CC2=C1N=CC=C2
Download

INCHI for HMDB0247448 (8-Mercaptoquinoline)

InChI=1S/C9H7NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
8-MQHMDB
8-Mercaptoquinoline hydrochlorideHMDB
8-QuinolinethiolHMDB
SQT-8HMDB
Quinoline-8-thiolHMDB
Sodium quinolinethiolateHMDB
Chemical FormulaC9H7NS
Average Molecular Weight161.22
Monoisotopic Molecular Weight161.029920403
IUPAC Namequinoline-8-thiol
Traditional Namequinoline-8-thiol
CAS Registry NumberNot Available
SMILES
SC1=CC=CC2=C1N=CC=C2
InChI Identifier
InChI=1S/C9H7NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
InChI KeyMHTSJSRDFXZFHQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassNot Available
Direct ParentQuinolines and derivatives
Alternative Parents
Substituents
  • Quinoline
  • Thiophenol
  • Benzenoid
  • Pyridine
  • Heteroaromatic compound
  • Azacycle
  • Arylthiol
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
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
logP2.29ALOGPS
logP2.22ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)6.29ChemAxon
pKa (Strongest Basic)3.67ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area12.89 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity47.99 m³·mol⁻¹ChemAxon
Polarizability17 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+130.56130932474
DeepCCS[M-H]-127.16930932474
DeepCCS[M-2H]-164.22830932474
DeepCCS[M+Na]+139.5830932474
AllCCS[M+H]+130.932859911
AllCCS[M+H-H2O]+126.232859911
AllCCS[M+NH4]+135.432859911
AllCCS[M+Na]+136.632859911
AllCCS[M-H]-128.632859911
AllCCS[M+Na-2H]-129.432859911
AllCCS[M+HCOO]-130.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
8-MercaptoquinolineSC1=CC=CC2=C1N=CC=C22278.1Standard polar33892256
8-MercaptoquinolineSC1=CC=CC2=C1N=CC=C21488.4Standard non polar33892256
8-MercaptoquinolineSC1=CC=CC2=C1N=CC=C21631.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
8-Mercaptoquinoline,1TMS,isomer #1C[Si](C)(C)SC1=CC=CC2=CC=CN=C121697.1Semi standard non polar33892256
8-Mercaptoquinoline,1TMS,isomer #1C[Si](C)(C)SC1=CC=CC2=CC=CN=C121724.8Standard non polar33892256
8-Mercaptoquinoline,1TMS,isomer #1C[Si](C)(C)SC1=CC=CC2=CC=CN=C122165.8Standard polar33892256
8-Mercaptoquinoline,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)SC1=CC=CC2=CC=CN=C121966.7Semi standard non polar33892256
8-Mercaptoquinoline,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)SC1=CC=CC2=CC=CN=C121934.7Standard non polar33892256
8-Mercaptoquinoline,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)SC1=CC=CC2=CC=CN=C122320.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 8-Mercaptoquinoline GC-MS (Non-derivatized) - 70eV, Positivesplash10-03xr-1900000000-9eab5d625cfe313ee25c2021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 8-Mercaptoquinoline GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Mercaptoquinoline 10V, Positive-QTOFsplash10-03di-0900000000-9b9b199467ccb68ebd402021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Mercaptoquinoline 20V, Positive-QTOFsplash10-03di-0900000000-da40db086b6a15de3eec2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Mercaptoquinoline 40V, Positive-QTOFsplash10-03di-1900000000-33d4ecdb90d130644e8c2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Mercaptoquinoline 10V, Negative-QTOFsplash10-03di-0900000000-0a2d48d9f70c00f639882021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Mercaptoquinoline 20V, Negative-QTOFsplash10-03di-0900000000-0c4365bedcb298b4dcfd2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 8-Mercaptoquinoline 40V, Negative-QTOFsplash10-03xr-1900000000-0fabd7f849713e121adc2021-10-12Wishart LabView Spectrum
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 ID86692
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link8-Mercaptoquinoline
METLIN IDNot Available
PubChem Compound96028
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 ]