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Showing metabocard for 2-Hydroxyethyl methacrylate (HMDB0245159)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:15:29 UTC
Update Date2021-09-26 22:53:28 UTC
HMDB IDHMDB0245159
Secondary Accession NumbersNone
Metabolite Identification
Common Name2-Hydroxyethyl methacrylate
Description2-hydroxyethyl methacrylate, also known as ethylene glycol methacrylate or HEMA, belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position. Based on a literature review a significant number of articles have been published on 2-hydroxyethyl methacrylate. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2-hydroxyethyl methacrylate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2-Hydroxyethyl methacrylate 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 HMDB0245159 (2-Hydroxyethyl methacrylate)


  Mrv1572004191603112D          

  9  8  0  0  0  0            999 V2000
    2.3349   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.1105    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
   -0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.9520    0.0000 O   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
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
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3D MOL for HMDB0245159 (2-Hydroxyethyl methacrylate)

HMDB0245159
     RDKit          3D
2-Hydroxyethyl methacrylate
 19 18  0  0  0  0  0  0  0  0999 V2000
   -2.1181    1.1585   -0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775   -0.1365   -0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305   -1.0908   -0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5503   -0.6607   -0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3738   -1.8810    0.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5188    0.1982   -0.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501   -0.2147    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7383    1.0115    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642    0.7037    0.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.8776   -0.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164    1.4783   -0.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7718   -0.8803    0.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893   -2.1274   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577   -0.9699   -1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8861   -0.7626    1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413   -0.8972   -0.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    1.7012    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.5477   -0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100   -0.0558    1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  3 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
M  END
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3D SDF for HMDB0245159 (2-Hydroxyethyl methacrylate)


  Mrv1572004191603112D          

  9  8  0  0  0  0            999 V2000
    2.3349   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.1105    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
   -0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.9520    0.0000 O   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
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0245159

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3

> <INCHI_KEY>
WOBHKFSMXKNTIM-UHFFFAOYSA-N

> <FORMULA>
C6H10O3

> <MOLECULAR_WEIGHT>
130.143

> <EXACT_MASS>
130.062994182

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
13.466773436393442

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-hydroxyethyl 2-methylprop-2-enoate

> <ALOGPS_LOGP>
0.27

> <JCHEM_LOGP>
0.6176231593333333

> <ALOGPS_LOGS>
0.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.095923393124803

> <JCHEM_PKA_STRONGEST_BASIC>
-2.756843107847211

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
32.7099

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.75e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
HEMA

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0245159 (2-Hydroxyethyl methacrylate)

HMDB0245159
     RDKit          3D
2-Hydroxyethyl methacrylate
 19 18  0  0  0  0  0  0  0  0999 V2000
   -2.1181    1.1585   -0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775   -0.1365   -0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305   -1.0908   -0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5503   -0.6607   -0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3738   -1.8810    0.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5188    0.1982   -0.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501   -0.2147    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7383    1.0115    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642    0.7037    0.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.8776   -0.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164    1.4783   -0.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7718   -0.8803    0.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893   -2.1274   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577   -0.9699   -1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8861   -0.7626    1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413   -0.8972   -0.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    1.7012    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.5477   -0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100   -0.0558    1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  3 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
M  END
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PDB for HMDB0245159 (2-Hydroxyethyl methacrylate)

HEADER    PROTEIN                                 19-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-16         0                                  
HETATM    1  C   UNK     0       4.358  -2.104   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.025   0.206   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.310  -1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.976  -2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.025  -1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.691  -2.104   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.644  -2.104   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       1.691  -3.644   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.357  -1.334   0.000  0.00  0.00           O+0
CONECT    1    5                                                            
CONECT    2    5                                                            
CONECT    3    4    7                                                       
CONECT    4    3    9                                                       
CONECT    5    1    2    6                                                  
CONECT    6    5    8    9                                                  
CONECT    7    3                                                            
CONECT    8    6                                                            
CONECT    9    4    6                                                       
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for HMDB0245159 (2-Hydroxyethyl methacrylate)

COMPND    HMDB0245159
HETATM    1  C1  UNL     1      -2.118   1.158  -0.474  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.878  -0.137  -0.311  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.031  -1.091  -0.377  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.550  -0.661  -0.073  1.00  0.00           C  
HETATM    5  O1  UNL     1      -0.374  -1.881   0.073  1.00  0.00           O  
HETATM    6  O2  UNL     1       0.519   0.198  -0.010  1.00  0.00           O  
HETATM    7  C5  UNL     1       1.850  -0.215   0.218  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.738   1.012   0.219  1.00  0.00           C  
HETATM    9  O3  UNL     1       4.064   0.704   0.436  1.00  0.00           O  
HETATM   10  H1  UNL     1      -1.325   1.878  -0.435  1.00  0.00           H  
HETATM   11  H2  UNL     1      -3.116   1.478  -0.645  1.00  0.00           H  
HETATM   12  H3  UNL     1      -3.772  -0.880   0.404  1.00  0.00           H  
HETATM   13  H4  UNL     1      -2.689  -2.127  -0.321  1.00  0.00           H  
HETATM   14  H5  UNL     1      -3.558  -0.970  -1.353  1.00  0.00           H  
HETATM   15  H6  UNL     1       1.886  -0.763   1.158  1.00  0.00           H  
HETATM   16  H7  UNL     1       2.141  -0.897  -0.593  1.00  0.00           H  
HETATM   17  H8  UNL     1       2.412   1.701   1.028  1.00  0.00           H  
HETATM   18  H9  UNL     1       2.590   1.548  -0.733  1.00  0.00           H  
HETATM   19  H10 UNL     1       4.210  -0.056   1.029  1.00  0.00           H  
CONECT    1    2    2   10   11
CONECT    2    3    4
CONECT    3   12   13   14
CONECT    4    5    5    6
CONECT    6    7
CONECT    7    8   15   16
CONECT    8    9   17   18
CONECT    9   19
END
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SMILES for HMDB0245159 (2-Hydroxyethyl methacrylate)

CC(=C)C(=O)OCCO
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INCHI for HMDB0245159 (2-Hydroxyethyl methacrylate)

InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(Hydroxyethyl)methacrylateChEBI
1,2-Ethanediol mono(2-methyl)-2-propenoateChEBI
2-(Methacryloyloxy)ethanolChEBI
2-Hydroxyethyl 2-methylacrylateChEBI
2-HydroxyethylmethacrylateChEBI
beta-Hydroxyethyl methacrylateChEBI
Ethylene glycol methacrylateChEBI
Ethylene glycol monomethacrylateChEBI
Glycol methacrylateChEBI
Glycol monomethacrylateChEBI
HEMAChEBI
Hydroxyethyl methacrylateChEBI
(Hydroxyethyl)methacrylic acidGenerator
1,2-Ethanediol mono(2-methyl)-2-propenoic acidGenerator
2-Hydroxyethyl 2-methylacrylic acidGenerator
2-Hydroxyethylmethacrylic acidGenerator
b-Hydroxyethyl methacrylateGenerator
b-Hydroxyethyl methacrylic acidGenerator
beta-Hydroxyethyl methacrylic acidGenerator
Β-hydroxyethyl methacrylateGenerator
Β-hydroxyethyl methacrylic acidGenerator
Ethylene glycol methacrylic acidGenerator
Ethylene glycol monomethacrylic acidGenerator
Glycol methacrylic acidGenerator
Glycol monomethacrylic acidGenerator
Hydroxyethyl methacrylic acidGenerator
2-Hydroxyethyl methacrylic acidGenerator
2-Hydroxyethyl 2-methylprop-2-enoic acidGenerator
HistoresinMeSH
2-Hydroxyethyl methacrylateMeSH
Chemical FormulaC6H10O3
Average Molecular Weight130.143
Monoisotopic Molecular Weight130.062994182
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate
Traditional NameHEMA
CAS Registry NumberNot Available
SMILES
CC(=C)C(=O)OCCO
InChI Identifier
InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3
InChI KeyWOBHKFSMXKNTIM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentEnoate esters
Alternative Parents
Substituents
  • Enoate ester
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • 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
logP0.27ALOGPS
logP0.62ChemAxon
logS0.13ALOGPS
pKa (Strongest Acidic)15.1ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area46.53 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity32.71 m³·mol⁻¹ChemAxon
Polarizability13.47 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]+124.47230932474
DeepCCS[M-H]-120.96430932474
DeepCCS[M-2H]-158.06530932474
DeepCCS[M+Na]+133.15930932474
AllCCS[M+H]+130.732859911
AllCCS[M+H-H2O]+126.632859911
AllCCS[M+NH4]+134.532859911
AllCCS[M+Na]+135.632859911
AllCCS[M-H]-128.232859911
AllCCS[M+Na-2H]-131.032859911
AllCCS[M+HCOO]-134.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-Hydroxyethyl methacrylateCC(=C)C(=O)OCCO1804.1Standard polar33892256
2-Hydroxyethyl methacrylateCC(=C)C(=O)OCCO993.6Standard non polar33892256
2-Hydroxyethyl methacrylateCC(=C)C(=O)OCCO1023.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-Hydroxyethyl methacrylate GC-MS (Non-derivatized) - 70eV, Positivesplash10-014l-9000000000-79d70b3fe3e46e59d9222021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Hydroxyethyl methacrylate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Hydroxyethyl methacrylate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Hydroxyethyl methacrylate GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 10V, Positive-QTOFsplash10-001i-7900000000-dda58e59c2e483c374922016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 20V, Positive-QTOFsplash10-0005-9300000000-6e4dbc7a6d9dd7b353ae2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 40V, Positive-QTOFsplash10-0006-9000000000-d2adaeff9877b78c467c2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 10V, Negative-QTOFsplash10-004r-9800000000-35c7ea4e3d5ec279dae72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 20V, Negative-QTOFsplash10-002u-9400000000-0026e1804bf17102832e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 40V, Negative-QTOFsplash10-000l-9000000000-4cf9ae526df52c66f2262016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 10V, Positive-QTOFsplash10-014m-9000000000-1ec9841fc7f3b9ae3ad82021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 20V, Positive-QTOFsplash10-00kg-9000000000-c1781158dd61dd8f2b0a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 40V, Positive-QTOFsplash10-0006-9000000000-08e13551cdf4703e33392021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 10V, Negative-QTOFsplash10-000i-9000000000-ec20127c74818b1f634d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 20V, Negative-QTOFsplash10-000l-9000000000-034c72f1a343a44e38832021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Hydroxyethyl methacrylate 40V, Negative-QTOFsplash10-0006-9000000000-8c76d55b487a74bbd4252021-10-12Wishart 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 ID12791
KEGG Compound IDC14530
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link(Hydroxyethyl)methacrylate
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID34288
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1176821
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 ]