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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:25:45 UTC
Update Date2021-09-14 15:41:42 UTC
HMDB IDHMDB0060506
Secondary Accession Numbers
  • HMDB60506
Metabolite Identification
Common NameS-(2,2-Dichloro-1-hydroxy)ethyl glutathione
DescriptionS-(2,2-Dichloro-1-hydroxy)ethyl glutathione belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. S-(2,2-Dichloro-1-hydroxy)ethyl glutathione is a very strong basic compound (based on its pKa). S-(2,2-Dichloro-1-hydroxy)ethyl glutathione exists in all living organisms, ranging from bacteria to humans. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
Structure
Data?1563866069
SynonymsNot Available
Chemical FormulaC12H19Cl2N3O7S
Average Molecular Weight420.266
Monoisotopic Molecular Weight419.032076081
IUPAC Name(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,2-dichloro-1-hydroxyethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
Traditional Name(2S)-2-amino-4-{[(1R)-1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-[(2,2-dichloro-1-hydroxyethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@](N)(CCC(O)=N[C@@]([H])(CSC([H])(O)C(Cl)Cl)C(O)=NCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C12H19Cl2N3O7S/c13-9(14)12(24)25-4-6(10(21)16-3-8(19)20)17-7(18)2-1-5(15)11(22)23/h5-6,9,12,24H,1-4,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t5-,6-,12?/m0/s1
InChI KeyRULDRNMMLPUXQI-LBHDVABESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Gamma-glutamyl alpha peptide
  • Glutamine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Halogenated fatty acid
  • Hydroxy fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • N-acyl-amine
  • Fatty acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Chlorohydrin
  • Amino acid
  • Halohydrin
  • Sulfenyl compound
  • Carboxylic acid
  • Organochloride
  • Hydrocarbon derivative
  • Alkyl halide
  • Alkyl chloride
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Organohalogen compound
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Primary amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Spectral PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.2 g/LALOGPS
logP10(-2.2) g/LALOGPS
logP10(-2.3) g/LChemAxon
logS10(-3.3) g/LALOGPS
pKa (Strongest Acidic)1.79ChemAxon
pKa (Strongest Basic)9.54ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area186.03 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity90.48 m³·mol⁻¹ChemAxon
Polarizability38.87 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TMS,#1C[Si](C)(C)OC(CC[C@H](N)C(=O)O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O3351.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TMS,#2C[Si](C)(C)OC(SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(Cl)Cl3350.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TMS,#3C[Si](C)(C)OC(=NCC(=O)O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3284.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TMS,#4C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3340.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TMS,#5C[Si](C)(C)OC(=O)[C@@H](N)CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O3267.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TMS,#6C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O3412.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C3167.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#2C[Si](C)(C)OC(CC[C@H](N)C(=O)O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O3244.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#3C[Si](C)(C)OC(CC[C@H](N)C(=O)O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C3184.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#4C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C3221.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#5C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O3287.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#6C[Si](C)(C)OC(=O)[C@@H](N)CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O3174.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#7C[Si](C)(C)OC(=NCC(=O)O)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3206.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#8C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3235.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#9C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O3300.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#10C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3142.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#11C[Si](C)(C)OC(=O)[C@@H](N)CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C3106.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#12C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O3246.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#13C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C3170.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#14C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O3280.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#15C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C3236.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TMS,#16C[Si](C)(C)N([C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O)[Si](C)(C)C3455.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C3130.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#2C[Si](C)(C)OC(=O)[C@@H](N)CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3052.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#3C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3091.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#4C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3167.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#5C[Si](C)(C)OC(CC[C@H](N)C(=O)O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C3153.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#6C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C3166.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#7C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O3241.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#8C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C3067.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#9C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3188.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#10C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3204.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#11C[Si](C)(C)OC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O3349.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#12C[Si](C)(C)OC(=O)[C@@H](N)CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C3082.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#13C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C3118.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#14C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C3167.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#15C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3104.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#16C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O3194.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#17C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O3219.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#18C[Si](C)(C)OC(SC[C@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O)C(Cl)Cl3345.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#19C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C3017.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#20C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3144.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#21C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3124.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#22C[Si](C)(C)OC(=NCC(=O)O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3298.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#23C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3165.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#24C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3322.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TMS,#25C[Si](C)(C)OC(=O)[C@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C3303.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3076.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#2C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3078.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#3C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3155.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#4C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3014.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#5C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3102.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#6C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3129.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#7C[Si](C)(C)OC(=O)[C@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3265.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#8C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C3073.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#9C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3205.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#10C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3199.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#11C[Si](C)(C)OC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O3313.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#12C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3120.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#13C[Si](C)(C)OC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C3265.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#14C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3295.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#15C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C3031.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#16C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3115.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#17C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3136.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#18C[Si](C)(C)OC(=O)[C@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C3269.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#19C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3144.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#20C[Si](C)(C)OC(=NCC(=O)O)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3273.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#21C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3288.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#22C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3069.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#23C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3229.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#24C[Si](C)(C)OC(=O)[C@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3214.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TMS,#25C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3265.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#1C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3019.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#2C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3125.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#3C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3115.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#4C[Si](C)(C)OC(=O)[C@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3252.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#5C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3091.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#6C[Si](C)(C)OC(=O)[C@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3227.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#7C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3246.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#8C[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3135.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#9C[Si](C)(C)OC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C3281.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#10C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3279.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#11C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3240.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#12C[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3076.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#13C[Si](C)(C)OC(=O)[C@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3223.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#14C[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3238.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#15C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O[Si](C)(C)C)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3225.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,5TMS,#16C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3196.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TBDMS,#1CC(C)(C)[Si](C)(C)OC(CC[C@H](N)C(=O)O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O3543.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TBDMS,#2CC(C)(C)[Si](C)(C)OC(SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(Cl)Cl3552.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TBDMS,#3CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3454.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TBDMS,#4CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3573.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TBDMS,#5CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O3496.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,1TBDMS,#6CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O3594.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C3599.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#2CC(C)(C)[Si](C)(C)OC(CC[C@H](N)C(=O)O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O3652.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#3CC(C)(C)[Si](C)(C)OC(CC[C@H](N)C(=O)O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3617.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#4CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C3667.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O3724.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O3606.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#7CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3602.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#8CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3690.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#9CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O3703.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#10CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3598.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#11CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3550.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#12CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O3654.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#13CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C3643.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#14CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O3728.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#15CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C3675.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,2TBDMS,#16CC(C)(C)[Si](C)(C)N([C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C3786.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C3782.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3751.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#3CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3778.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3857.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#5CC(C)(C)[Si](C)(C)OC(CC[C@H](N)C(=O)O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3793.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#6CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C3828.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#7CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O3892.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#8CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C3777.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3864.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3899.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#11CC(C)(C)[Si](C)(C)OC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O4000.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#12CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3743.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#13CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C3819.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#14CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C3862.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#15CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O3774.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#16CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O3834.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#17CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O3905.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#18CC(C)(C)[Si](C)(C)OC(SC[C@H](N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)C(Cl)Cl3982.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#19CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C3731.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#20CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3838.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#21CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3806.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#22CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3950.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#23CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3869.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#24CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4010.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,3TBDMS,#25CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3987.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3927.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3953.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4028.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#4CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3916.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3981.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4018.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4197.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#8CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C3930.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4031.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4067.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#11CC(C)(C)[Si](C)(C)OC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O4198.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#12CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4011.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#13CC(C)(C)[Si](C)(C)OC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C4183.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#14CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4212.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#15CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C3901.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#16CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3969.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#17CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4035.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#18CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(O)=NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4197.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#19CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4006.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#20CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4162.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#21CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O[Si](C)(C)C(C)(C)C)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4206.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#22CC(C)(C)[Si](C)(C)N[C@@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3956.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#23CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4157.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#24CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(O)=N[C@@H](CSC(O)C(Cl)Cl)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4148.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione,4TBDMS,#25CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC(O)C(Cl)Cl)N=C(O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4202.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione GC-MS (Non-derivatized) - 70eV, Positivesplash10-06r6-9063000000-43bf2798906ea2327fea2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione GC-MS (3 TMS) - 70eV, Positivesplash10-00xr-3200092000-a62e8f43f511bc951a262017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione 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 - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione 10V, Positive-QTOFsplash10-03k9-2974300000-bb95efb8c8d93d5a32762015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione 20V, Positive-QTOFsplash10-00di-9654000000-13c490b986b2123f0ada2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione 40V, Positive-QTOFsplash10-0229-9640000000-55f5ba7227af04ed0e7a2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione 10V, Negative-QTOFsplash10-0a4r-0297200000-b10c207f55a31b0552092015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione 20V, Negative-QTOFsplash10-076r-1693100000-fa6e3d48016679a515182015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione 40V, Negative-QTOFsplash10-0006-3900000000-b113b3df33d347dd94142015-09-15Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
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 ID10128365
KEGG Compound IDC14861
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11954070
PDB IDNot Available
ChEBI ID34958
Food Biomarker OntologyNot Available
VMH IDM02853
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Only showing the first 10 proteins. There are 19 proteins in total.

Enzymes

General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM2
Uniprot ID:
P28161
Molecular weight:
25744.395
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM1
Uniprot ID:
P09488
Molecular weight:
25711.555
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails
General function:
Involved in protein disulfide oxidoreductase activity
Specific function:
Significant glutathione conjugating activity is found only with the model substrate, 1-chloro-2,4-dinitrobenzene (CDNB).
Gene Name:
GSTK1
Uniprot ID:
Q9Y2Q3
Molecular weight:
31565.605
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails
General function:
Involved in glutathione transferase activity
Specific function:
Also functions as a glutathione peroxidase.
Gene Name:
MGST3
Uniprot ID:
O14880
Molecular weight:
16516.185
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. May govern uptake and detoxification of both endogenous compounds and xenobiotics at the testis and brain blood barriers.
Gene Name:
GSTM3
Uniprot ID:
P21266
Molecular weight:
26559.32
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTA1
Uniprot ID:
P08263
Molecular weight:
25630.785
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Has a wide substrate specificity.
Gene Name:
MGST1
Uniprot ID:
P10620
Molecular weight:
17598.45
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Active on 1-chloro-2,4-dinitrobenzene.
Gene Name:
GSTM4
Uniprot ID:
Q03013
Molecular weight:
25561.095
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM5
Uniprot ID:
P46439
Molecular weight:
25674.455
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails
General function:
Involved in enzyme activator activity
Specific function:
Can catalyze the production of LTC4 from LTA4 and reduced glutathione. Can catalyze the conjugation of 1-chloro-2,4-dinitrobenzene with reduced glutathione.
Gene Name:
MGST2
Uniprot ID:
Q99735
Molecular weight:
16620.4
Reactions
2,2-Dichloroacetaldehyde + Glutathione → S-(2,2-Dichloro-1-hydroxy)ethyl glutathionedetails

Only showing the first 10 proteins. There are 19 proteins in total.