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Showing metabocard for 3-Chloro-2-hydroxypropanoic acid (HMDB0244784)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 21:55:09 UTC
Update Date2021-09-26 22:52:45 UTC
HMDB IDHMDB0244784
Secondary Accession NumbersNone
Metabolite Identification
Common Name3-Chloro-2-hydroxypropanoic acid
Description3-Chloro-2-hydroxypropanoic acid, also known as beta-chlorolactic acid or b-chlorolactate, belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon. Based on a literature review a significant number of articles have been published on 3-Chloro-2-hydroxypropanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). 3-chloro-2-hydroxypropanoic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 3-Chloro-2-hydroxypropanoic 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 HMDB0244784 (3-Chloro-2-hydroxypropanoic acid)


  Mrv1652309102123552D          

  7  6  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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  2  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
Download

3D MOL for HMDB0244784 (3-Chloro-2-hydroxypropanoic acid)

HMDB0244784
     RDKit          3D
3-Chloro-2-hydroxypropanoic acid
 12 11  0  0  0  0  0  0  0  0999 V2000
    1.4209   -1.7879   -0.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121   -0.7772   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    0.0430    0.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2814   -0.4585   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719   -1.4028   -0.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7189    0.8796   -0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2031    2.2300    0.0562 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.9309   -0.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4270   -0.4920    1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -1.0162   -0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853    1.0121   -0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829    0.8390   -1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  3  8  1  0
  4  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END
Download

3D SDF for HMDB0244784 (3-Chloro-2-hydroxypropanoic acid)


  Mrv1652309102123552D          

  7  6  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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  2  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0244784

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(CCl)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)

> <INCHI_KEY>
OSLCJYYQMKPZHU-UHFFFAOYSA-N

> <FORMULA>
C3H5ClO3

> <MOLECULAR_WEIGHT>
124.52

> <EXACT_MASS>
123.9927217

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
10.023977412698606

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-chloro-2-hydroxypropanoic acid

> <ALOGPS_LOGP>
-0.37

> <JCHEM_LOGP>
-0.16414762866666685

> <ALOGPS_LOGS>
0.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.473514404640898

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1141999866256533

> <JCHEM_PKA_STRONGEST_BASIC>
-4.151749120335887

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
23.4345

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.86e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-chloro-2-hydroxypropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0244784 (3-Chloro-2-hydroxypropanoic acid)

HMDB0244784
     RDKit          3D
3-Chloro-2-hydroxypropanoic acid
 12 11  0  0  0  0  0  0  0  0999 V2000
    1.4209   -1.7879   -0.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121   -0.7772   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    0.0430    0.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2814   -0.4585   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719   -1.4028   -0.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7189    0.8796   -0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2031    2.2300    0.0562 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.9309   -0.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4270   -0.4920    1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -1.0162   -0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853    1.0121   -0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829    0.8390   -1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  3  8  1  0
  4  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END
Download

PDB for HMDB0244784 (3-Chloro-2-hydroxypropanoic acid)

HEADER    PROTEIN                                 10-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-21         0                                  
HETATM    1  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.310  -1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.850  -1.334   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.620  -2.667   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       4.620  -0.000   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       1.540  -2.667   0.000  0.00  0.00           O+0
HETATM    7 Cl   UNK     0       0.000   0.000   0.000  0.00  0.00          Cl+0
CONECT    1    2    7                                                       
CONECT    2    1    3    6                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2                                                            
CONECT    7    1                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   12    0
END
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3D PDB for HMDB0244784 (3-Chloro-2-hydroxypropanoic acid)

COMPND    HMDB0244784
HETATM    1  O1  UNL     1       1.421  -1.788  -0.949  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.112  -0.777  -0.294  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.114   0.043   0.162  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.281  -0.458  -0.010  1.00  0.00           C  
HETATM    5  O3  UNL     1      -1.172  -1.403  -0.551  1.00  0.00           O  
HETATM    6  C3  UNL     1      -0.719   0.880  -0.572  1.00  0.00           C  
HETATM    7 CL1  UNL     1       0.203   2.230   0.056  1.00  0.00          CL  
HETATM    8  H1  UNL     1       2.379   0.931  -0.278  1.00  0.00           H  
HETATM    9  H2  UNL     1      -0.427  -0.492   1.089  1.00  0.00           H  
HETATM   10  H3  UNL     1      -2.062  -1.016  -0.693  1.00  0.00           H  
HETATM   11  H4  UNL     1      -1.785   1.012  -0.225  1.00  0.00           H  
HETATM   12  H5  UNL     1      -0.783   0.839  -1.677  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3    8
CONECT    4    5    6    9
CONECT    5   10
CONECT    6    7   11   12
END
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SMILES for HMDB0244784 (3-Chloro-2-hydroxypropanoic acid)

OC(CCl)C(O)=O
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INCHI for HMDB0244784 (3-Chloro-2-hydroxypropanoic acid)

InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
3-Chloro-2-hydroxypropionic acidChEBI
beta-Chlorolactic acidChEBI
3-Chloro-2-hydroxypropionateGenerator
b-ChlorolactateGenerator
b-Chlorolactic acidGenerator
beta-ChlorolactateGenerator
Β-chlorolactateGenerator
Β-chlorolactic acidGenerator
3-Chloro-2-hydroxypropanoateGenerator
3-Chloro lactateHMDB
3-ChlorolactateHMDB
3-Chlorolactate monosodiumHMDB
3-Chlorolactate, (+-)-isomerHMDB
Chemical FormulaC3H5ClO3
Average Molecular Weight124.52
Monoisotopic Molecular Weight123.9927217
IUPAC Name3-chloro-2-hydroxypropanoic acid
Traditional Name3-chloro-2-hydroxypropanoic acid
CAS Registry NumberNot Available
SMILES
OC(CCl)C(O)=O
InChI Identifier
InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
InChI KeyOSLCJYYQMKPZHU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassAlpha hydroxy acids and derivatives
Direct ParentAlpha hydroxy acids and derivatives
Alternative Parents
Substituents
  • Alpha-hydroxy acid
  • Chlorohydrin
  • Halohydrin
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organooxygen compound
  • Organochloride
  • Organohalogen compound
  • Alcohol
  • Carbonyl group
  • Organic oxygen compound
  • Alkyl halide
  • Alkyl chloride
  • Hydrocarbon derivative
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
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
logP-0.37ALOGPS
logP-0.16ChemAxon
logS0.49ALOGPS
pKa (Strongest Acidic)3.11ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity23.43 m³·mol⁻¹ChemAxon
Polarizability10.02 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]+130.30730932474
DeepCCS[M-H]-127.50930932474
DeepCCS[M-2H]-163.94130932474
DeepCCS[M+Na]+138.55530932474
AllCCS[M+H]+130.632859911
AllCCS[M+H-H2O]+126.432859911
AllCCS[M+NH4]+134.532859911
AllCCS[M+Na]+135.632859911
AllCCS[M-H]-127.832859911
AllCCS[M+Na-2H]-131.732859911
AllCCS[M+HCOO]-136.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3-Chloro-2-hydroxypropanoic acidOC(CCl)C(O)=O2023.9Standard polar33892256
3-Chloro-2-hydroxypropanoic acidOC(CCl)C(O)=O992.4Standard non polar33892256
3-Chloro-2-hydroxypropanoic acidOC(CCl)C(O)=O1157.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3-Chloro-2-hydroxypropanoic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-002g-9000000000-c38418042550084ae5332021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Chloro-2-hydroxypropanoic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Chloro-2-hydroxypropanoic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Chloro-2-hydroxypropanoic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Chloro-2-hydroxypropanoic acid GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Chloro-2-hydroxypropanoic acid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Chloro-2-hydroxypropanoic acid GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Chloro-2-hydroxypropanoic acid GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Chloro-2-hydroxypropanoic acid 10V, Positive-QTOFsplash10-0a4i-6900000000-91815fd91a783c98e37d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Chloro-2-hydroxypropanoic acid 20V, Positive-QTOFsplash10-03fr-9100000000-89a77af043b5acd25f132021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Chloro-2-hydroxypropanoic acid 40V, Positive-QTOFsplash10-03fu-9000000000-802a9cc3a5bc26a26de92021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Chloro-2-hydroxypropanoic acid 10V, Negative-QTOFsplash10-001i-9000000000-c2fa753da65a4bac80a12021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Chloro-2-hydroxypropanoic acid 20V, Negative-QTOFsplash10-001i-9000000000-c2fa753da65a4bac80a12021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Chloro-2-hydroxypropanoic acid 40V, Negative-QTOFsplash10-001i-9000000000-c2fa753da65a4bac80a12021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart 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 ID83863
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound92899
PDB IDNot Available
ChEBI ID77855
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 ]