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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 04:47:38 UTC
Update Date2022-03-07 03:17:57 UTC
HMDB IDHMDB0062624
Secondary Accession Numbers
  • HMDB62624
Metabolite Identification
Common Name(R)-S-lactoylglutathionate(1-)
Description2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 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. 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid is a very strong basic compound (based on its pKa).
Structure
Data?1563866338
Synonyms
ValueSource
2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoateGenerator
2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)butanoateGenerator
2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acidGenerator
(R)-S-Lactoylglutathionic acid(1-)Generator
(R)-S-Lactoylglutathionate anionHMDB
(R)-S-LactoylglutathioneHMDB
(R)-S-Lactoylglutathionic acid anionHMDB
Chemical FormulaC13H21N3O8S
Average Molecular Weight379.38
Monoisotopic Molecular Weight379.104935822
IUPAC Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxypropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Traditional Name2-amino-4-{[1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-[(2-hydroxypropanoyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
CC(O)C(=O)SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O
InChI Identifier
InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)
InChI KeyVDYDCVUWILIYQF-UHFFFAOYSA-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
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • N-acyl-amine
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carbothioic s-ester
  • Thiocarboxylic acid ester
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Thiocarboxylic acid or derivatives
  • Sulfenyl compound
  • Carboxylic acid
  • Amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Alcohol
  • Organopnictogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Primary amine
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility2.04 g/lALOGPS
LogP-1.89ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.9ALOGPS
logP-3.8ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)1.84ChemAxon
pKa (Strongest Basic)9.54ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area203.1 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity85.82 m³·mol⁻¹ChemAxon
Polarizability36.76 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+181.47430932474
DeepCCS[M-H]-179.11630932474
DeepCCS[M-2H]-212.3530932474
DeepCCS[M+Na]+187.57730932474
AllCCS[M+H]+182.432859911
AllCCS[M+H-H2O]+180.132859911
AllCCS[M+NH4]+184.432859911
AllCCS[M+Na]+185.032859911
AllCCS[M-H]-180.332859911
AllCCS[M+Na-2H]-180.832859911
AllCCS[M+HCOO]-181.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(R)-S-lactoylglutathionate(1-)CC(O)C(=O)SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O4399.2Standard polar33892256
(R)-S-lactoylglutathionate(1-)CC(O)C(=O)SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O2701.7Standard non polar33892256
(R)-S-lactoylglutathionate(1-)CC(O)C(=O)SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O3407.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(R)-S-lactoylglutathionate(1-),1TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O3301.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TMS,isomer #2CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O3194.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TMS,isomer #3CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O3228.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TMS,isomer #4CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C3203.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TMS,isomer #5CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C3257.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TMS,isomer #6CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(O)=NCC(=O)O3355.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O3132.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #10CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3121.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #11CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3147.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #12CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O3253.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #13CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3110.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #14CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C3249.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #15CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C3277.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #16CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O3444.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #2CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O3179.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #3CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C3167.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #4CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C3198.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #5CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(O)=NCC(=O)O3313.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #6CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O3112.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #7CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3117.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #8CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3120.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TMS,isomer #9CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O3223.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O3089.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #10CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C3215.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #11CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O3412.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #12CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3049.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #13CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3058.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #14CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O3135.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #15CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3011.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #16CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3134.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #17CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3145.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #18CC(O)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O3295.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #19CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3031.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #2CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3076.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #20CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3143.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #21CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3155.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #22CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O3338.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #23CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3141.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #24CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3321.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #25CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3336.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #3CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3075.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #4CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O3168.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #5CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3075.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #6CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3104.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #7CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O3189.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #8CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3043.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TMS,isomer #9CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C3200.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3006.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #10CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3100.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #11CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O3308.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #12CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3080.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #13CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3309.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #14CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3311.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #15CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2955.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #16CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3067.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #17CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3071.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #18CC(O)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O3238.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #19CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3039.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #2CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3018.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #20CC(O)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3254.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #21CC(O)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3248.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #22CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3046.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #23CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3242.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #24CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3259.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #25CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3234.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #3CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O3100.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #4CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2976.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #5CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3107.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #6CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3092.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #7CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O3308.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #8CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2969.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TMS,isomer #9CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3103.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2950.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #10CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3234.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #11CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3234.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #12CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3010.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #13CC(O)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3198.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #14CC(O)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3202.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #15CC(O)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3193.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #16CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3174.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #2CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3049.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #3CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3045.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #4CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O3250.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #5CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3023.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #6CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3267.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #7CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3254.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #8CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3019.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),5TMS,isomer #9CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3239.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3028.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2959.1Standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3749.4Standard polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #2CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3208.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #2CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C2992.1Standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #2CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C3972.0Standard polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #3CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3207.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #3CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C3046.3Standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #3CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C4157.6Standard polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #4CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3199.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #4CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3038.0Standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #4CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3933.3Standard polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #5CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3176.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #5CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3076.1Standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #5CC(O[Si](C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C4029.0Standard polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #6CC(O)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3162.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #6CC(O)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3036.1Standard non polar33892256
(R)-S-lactoylglutathionate(1-),6TMS,isomer #6CC(O)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3919.6Standard polar33892256
(R)-S-lactoylglutathionate(1-),7TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3180.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),7TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3059.6Standard non polar33892256
(R)-S-lactoylglutathionate(1-),7TMS,isomer #1CC(O[Si](C)(C)C)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3613.1Standard polar33892256
(R)-S-lactoylglutathionate(1-),1TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O3503.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TBDMS,isomer #2CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3389.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TBDMS,isomer #3CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3441.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TBDMS,isomer #4CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3405.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TBDMS,isomer #5CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3495.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),1TBDMS,isomer #6CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(O)=NCC(=O)O3546.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3565.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #10CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3532.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #11CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3567.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #12CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3642.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #13CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3546.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #14CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3644.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #15CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3685.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #16CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3740.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #2CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3582.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #3CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3579.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #4CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3635.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #5CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(O)=NCC(=O)O3694.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #6CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3527.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #7CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3543.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #8CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3561.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),2TBDMS,isomer #9CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3635.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3734.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #10CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3846.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #11CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3956.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #12CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3689.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #13CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3719.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #14CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3781.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #15CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3677.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #16CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3789.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #17CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3804.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #18CC(O)C(=O)SCC(N=C(CCC(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)C)C(O)=NCC(=O)O3920.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #19CC(O)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3703.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #2CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3720.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #20CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3764.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #21CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3792.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #22CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3926.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #23CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3787.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #24CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3912.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #25CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3935.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #3CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3741.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #4CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3821.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #5CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3726.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #6CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3762.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #7CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3810.8Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #8CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3727.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),3TBDMS,isomer #9CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3816.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3873.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #10CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3968.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #11CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O4143.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #12CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3941.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #13CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C4131.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #14CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C4141.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #15CC(O)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3833.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #16CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3896.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #17CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3930.9Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #18CC(O)C(=O)SCC(N=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O4120.1Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #19CC(O)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3893.3Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #2CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3903.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #20CC(O)C(=O)SCC(N=C(CCC(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)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C4105.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #21CC(O)C(=O)SCC(N=C(CCC(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)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C4115.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #22CC(O)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3888.5Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #23CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C4096.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #24CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C4124.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #25CC(O)C(=O)SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4091.0Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #3CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O3959.6Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #4CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3842.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #5CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3935.4Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #6CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C3962.7Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #7CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(CCC(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)C)C(O)=NCC(=O)O4147.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #8CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3866.2Semi standard non polar33892256
(R)-S-lactoylglutathionate(1-),4TBDMS,isomer #9CC(O[Si](C)(C)C(C)(C)C)C(=O)SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C3929.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (R)-S-lactoylglutathionate(1-) 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 - (R)-S-lactoylglutathionate(1-) 10V, Positive-QTOFsplash10-01x1-3169000000-6a45f519f6f6053b886b2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 20V, Positive-QTOFsplash10-00di-9272000000-a3dd0392810c70da69082019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 40V, Positive-QTOFsplash10-00di-9440000000-a11de20787f10150befc2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 10V, Negative-QTOFsplash10-0bvr-0159000000-3108c304aa9538892a382019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 20V, Negative-QTOFsplash10-05g0-5389000000-6aa56df9b70280dd99542019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 40V, Negative-QTOFsplash10-00di-9200000000-4089a2e9d0156bf61dd62019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 10V, Positive-QTOFsplash10-001i-0019000000-9111b053543a1bc5aa3f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 20V, Positive-QTOFsplash10-0002-4954000000-c4861488a71957a27a712021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 40V, Positive-QTOFsplash10-01qi-2950000000-97e588b0ac4b633aca9b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 10V, Negative-QTOFsplash10-03di-1019000000-25d753a0cdf8800e7fa82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 20V, Negative-QTOFsplash10-074u-0960000000-0c849b61fe818bb2a7442021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-S-lactoylglutathionate(1-) 40V, Negative-QTOFsplash10-0096-4900000000-4205dee3e68930779eba2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound1083
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 ReferencesNot Available