Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:41:40 UTC
HMDB IDHMDB0001550
Secondary Accession Numbers
  • HMDB01550
Metabolite Identification
Common NameS-Formylglutathione
DescriptionS-Formylglutathione, also known as L-gamma-glutamyl-S-formyl-L-cysteinylglycine, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of three to ten alpha-amino acids joined by peptide bonds. S-Formylglutathione is a very strong basic compound (based on its pKa). S-Formylglutathione exists in all living species, ranging from bacteria to humans. Outside of the human body, S-formylglutathione has been detected, but not quantified in, several different foods, such as sweet marjorams, muscadine grapes, amaranths, lemon verbena, and garden tomato. This could make S-formylglutathione a potential biomarker for the consumption of these foods. S-Formylglutathione is formed from the oxidation of S-hydroxymethylglutathione by the enzyme formaldehyde dehydrogenase (FDH; EC 1.2.1.1) in the presence of NAD (PMID: 2806555 ).
Structure
Data?1584471879
Synonyms
ValueSource
N-(S-(Formyl-N-L-gamma-glutamyl)-L-cysteinyl)glycineChEBI
N-(S-(Formyl-N-L-g-glutamyl)-L-cysteinyl)glycineGenerator
N-(S-(Formyl-N-L-γ-glutamyl)-L-cysteinyl)glycineGenerator
L-gamma-Glutamyl-S-formyl-L-cysteinylglycineHMDB
L-γ-Glutamyl-S-formyl-L-cysteinylglycineHMDB
S-FormylglutathioneHMDB
Chemical FormulaC11H17N3O7S
Average Molecular Weight335.334
Monoisotopic Molecular Weight335.078720603
IUPAC Name(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(formylsulfanyl)ethyl]carbamoyl}butanoic acid
Traditional NameS-formylglutathione
CAS Registry Number50409-81-9
SMILES
N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
InChI KeyFHXAGOICBFGEBF-BQBZGAKWSA-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
  • S-acylglutathione
  • Glutamine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • N-acyl-amine
  • Fatty acyl
  • Fatty amide
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Thiocarboxylic acid ester
  • Amino acid
  • Carboxamide group
  • Carbothioic s-ester
  • Sulfenyl compound
  • Carboxylic acid
  • Thiocarboxylic acid or derivatives
  • Organosulfur compound
  • Primary amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
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
Water Solubility3.62 g/LALOGPS
logP-2.9ALOGPS
logP-5.1ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)1.76ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area175.89 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity74.09 m³·mol⁻¹ChemAxon
Polarizability31.17 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
DarkChem[M+H]+177.72231661259
DarkChem[M+H]+177.72231661259
DarkChem[M-H]-172.75731661259
DarkChem[M-H]-172.75731661259
AllCCS[M+H]+169.98532859911
AllCCS[M-H]-170.04832859911
DeepCCS[M+H]+171.71730932474
DeepCCS[M-H]-169.35930932474
DeepCCS[M-2H]-202.71530932474
DeepCCS[M+Na]+177.94230932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
S-FormylglutathioneN[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O4082.6Standard polar33892256
S-FormylglutathioneN[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O2434.9Standard non polar33892256
S-FormylglutathioneN[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O3340.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
S-Formylglutathione,1TMS,isomer #1C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O2900.7Semi standard non polar33892256
S-Formylglutathione,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O2885.2Semi standard non polar33892256
S-Formylglutathione,1TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)C(=O)O2971.2Semi standard non polar33892256
S-Formylglutathione,1TMS,isomer #4C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CSC=O)C(=O)NCC(=O)O2884.5Semi standard non polar33892256
S-Formylglutathione,1TMS,isomer #5C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O2925.5Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #1C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C2873.9Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O2979.6Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #11C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2822.5Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O2961.4Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #3C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2877.2Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #4C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2838.0Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #5C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C2944.4Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C2832.8Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C2865.7Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #8C[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)C(=O)O)[Si](C)(C)C3054.5Semi standard non polar33892256
S-Formylglutathione,2TMS,isomer #9C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O2936.2Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2925.4Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2881.0Standard non polar33892256
S-Formylglutathione,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4563.3Standard polar33892256
S-Formylglutathione,3TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2929.0Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2888.8Standard non polar33892256
S-Formylglutathione,3TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C4432.9Standard polar33892256
S-Formylglutathione,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C2820.3Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C2871.7Standard non polar33892256
S-Formylglutathione,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C4846.8Standard polar33892256
S-Formylglutathione,3TMS,isomer #12C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CSC=O)C(=O)NCC(=O)O2999.5Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #12C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CSC=O)C(=O)NCC(=O)O2971.7Standard non polar33892256
S-Formylglutathione,3TMS,isomer #12C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CSC=O)C(=O)NCC(=O)O4618.6Standard polar33892256
S-Formylglutathione,3TMS,isomer #13C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3042.3Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #13C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2976.1Standard non polar33892256
S-Formylglutathione,3TMS,isomer #13C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4539.0Standard polar33892256
S-Formylglutathione,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2881.8Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2938.8Standard non polar33892256
S-Formylglutathione,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O4502.7Standard polar33892256
S-Formylglutathione,3TMS,isomer #2C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2821.2Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #2C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2851.7Standard non polar33892256
S-Formylglutathione,3TMS,isomer #2C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4930.1Standard polar33892256
S-Formylglutathione,3TMS,isomer #3C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2797.1Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #3C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2866.0Standard non polar33892256
S-Formylglutathione,3TMS,isomer #3C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4957.3Standard polar33892256
S-Formylglutathione,3TMS,isomer #4C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3053.1Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #4C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2956.5Standard non polar33892256
S-Formylglutathione,3TMS,isomer #4C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4639.4Standard polar33892256
S-Formylglutathione,3TMS,isomer #5C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2905.0Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #5C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2924.6Standard non polar33892256
S-Formylglutathione,3TMS,isomer #5C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O4559.6Standard polar33892256
S-Formylglutathione,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2933.1Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2904.7Standard non polar33892256
S-Formylglutathione,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O4562.0Standard polar33892256
S-Formylglutathione,3TMS,isomer #7C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2808.8Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #7C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2912.1Standard non polar33892256
S-Formylglutathione,3TMS,isomer #7C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C5090.1Standard polar33892256
S-Formylglutathione,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C3031.0Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2889.2Standard non polar33892256
S-Formylglutathione,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C4598.9Standard polar33892256
S-Formylglutathione,3TMS,isomer #9C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2893.8Semi standard non polar33892256
S-Formylglutathione,3TMS,isomer #9C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2888.3Standard non polar33892256
S-Formylglutathione,3TMS,isomer #9C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C4486.1Standard polar33892256
S-Formylglutathione,4TMS,isomer #1C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3037.8Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #1C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2961.2Standard non polar33892256
S-Formylglutathione,4TMS,isomer #1C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4135.6Standard polar33892256
S-Formylglutathione,4TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2869.1Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2962.6Standard non polar33892256
S-Formylglutathione,4TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3947.4Standard polar33892256
S-Formylglutathione,4TMS,isomer #11C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3016.7Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #11C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3057.1Standard non polar33892256
S-Formylglutathione,4TMS,isomer #11C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4101.9Standard polar33892256
S-Formylglutathione,4TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2842.0Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2936.4Standard non polar33892256
S-Formylglutathione,4TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3947.8Standard polar33892256
S-Formylglutathione,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2878.5Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2931.1Standard non polar33892256
S-Formylglutathione,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3993.3Standard polar33892256
S-Formylglutathione,4TMS,isomer #4C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2781.4Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #4C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2914.1Standard non polar33892256
S-Formylglutathione,4TMS,isomer #4C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4561.5Standard polar33892256
S-Formylglutathione,4TMS,isomer #5C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3041.7Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #5C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3011.5Standard non polar33892256
S-Formylglutathione,4TMS,isomer #5C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4122.8Standard polar33892256
S-Formylglutathione,4TMS,isomer #6C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3004.7Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #6C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3027.7Standard non polar33892256
S-Formylglutathione,4TMS,isomer #6C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4107.3Standard polar33892256
S-Formylglutathione,4TMS,isomer #7C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2872.7Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #7C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2972.6Standard non polar33892256
S-Formylglutathione,4TMS,isomer #7C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O4051.7Standard polar33892256
S-Formylglutathione,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3019.5Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2979.0Standard non polar33892256
S-Formylglutathione,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4092.5Standard polar33892256
S-Formylglutathione,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3054.5Semi standard non polar33892256
S-Formylglutathione,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2977.4Standard non polar33892256
S-Formylglutathione,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4061.6Standard polar33892256
S-Formylglutathione,5TMS,isomer #1C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3000.9Semi standard non polar33892256
S-Formylglutathione,5TMS,isomer #1C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3015.2Standard non polar33892256
S-Formylglutathione,5TMS,isomer #1C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3661.5Standard polar33892256
S-Formylglutathione,5TMS,isomer #2C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3005.5Semi standard non polar33892256
S-Formylglutathione,5TMS,isomer #2C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3021.3Standard non polar33892256
S-Formylglutathione,5TMS,isomer #2C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3623.4Standard polar33892256
S-Formylglutathione,5TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2829.9Semi standard non polar33892256
S-Formylglutathione,5TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2993.9Standard non polar33892256
S-Formylglutathione,5TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3511.9Standard polar33892256
S-Formylglutathione,5TMS,isomer #4C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3005.1Semi standard non polar33892256
S-Formylglutathione,5TMS,isomer #4C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3078.6Standard non polar33892256
S-Formylglutathione,5TMS,isomer #4C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3701.8Standard polar33892256
S-Formylglutathione,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3019.5Semi standard non polar33892256
S-Formylglutathione,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3052.6Standard non polar33892256
S-Formylglutathione,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3650.1Standard polar33892256
S-Formylglutathione,6TMS,isomer #1C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3006.5Semi standard non polar33892256
S-Formylglutathione,6TMS,isomer #1C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3086.8Standard non polar33892256
S-Formylglutathione,6TMS,isomer #1C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3335.1Standard polar33892256
S-Formylglutathione,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O3156.4Semi standard non polar33892256
S-Formylglutathione,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O3130.5Semi standard non polar33892256
S-Formylglutathione,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)C(=O)O3220.9Semi standard non polar33892256
S-Formylglutathione,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CSC=O)C(=O)NCC(=O)O3140.7Semi standard non polar33892256
S-Formylglutathione,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O3167.7Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C3355.6Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O3417.8Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C3318.6Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O3420.9Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C3357.3Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C3339.5Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C3382.0Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C3320.5Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3344.4Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C3529.8Semi standard non polar33892256
S-Formylglutathione,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O3406.6Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3620.3Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3372.9Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4322.3Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3603.8Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3374.2Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4278.5Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3516.9Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3363.2Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4644.0Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)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@@H](CSC=O)C(=O)NCC(=O)O3713.2Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)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@@H](CSC=O)C(=O)NCC(=O)O3432.9Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)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@@H](CSC=O)C(=O)NCC(=O)O4365.1Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3719.8Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3437.4Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4351.9Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3581.9Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3409.3Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O4327.0Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3559.3Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3366.7Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4691.5Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3544.6Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3361.2Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4686.1Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3753.9Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3423.3Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4389.2Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3611.7Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3402.2Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O4323.6Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3620.5Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3404.6Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O4348.8Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3539.4Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3408.2Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4796.2Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3737.4Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3386.1Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4375.5Standard polar33892256
S-Formylglutathione,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3589.0Semi standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3370.0Standard non polar33892256
S-Formylglutathione,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4282.0Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=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)C3961.1Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=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)C3559.6Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)NC(=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)C4073.4Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3771.5Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3541.2Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4008.7Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3925.0Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3616.3Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4096.2Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3785.4Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3524.4Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3978.1Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3799.2Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3538.4Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4013.6Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3748.8Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3530.5Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4433.2Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3961.0Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3602.9Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSC=O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4084.0Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3961.0Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3590.3Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSC=O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4059.3Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3802.9Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3565.8Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSC=O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O4067.8Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3950.5Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3567.7Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CSC=O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4057.3Standard polar33892256
S-Formylglutathione,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3950.4Semi standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3574.7Standard non polar33892256
S-Formylglutathione,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSC=O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4058.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - S-Formylglutathione GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-5291000000-b6c23fa7c47e31aeddcb2016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Formylglutathione GC-MS (2 TMS) - 70eV, Positivesplash10-023c-9313500000-1da9e85e107515d2bbe52017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Formylglutathione 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-Formylglutathione 10V, Positive-QTOFsplash10-05mx-1195000000-93ac994a9ac61ae6c14c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 20V, Positive-QTOFsplash10-0fcc-4890000000-fbee4581354032da3ef02015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 40V, Positive-QTOFsplash10-0zos-3920000000-743fa6d73cbb62d84f602015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 10V, Negative-QTOFsplash10-001i-1159000000-214301d7e8c99ddf96fd2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 20V, Negative-QTOFsplash10-060r-3393000000-78df0617238659fc63002015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 40V, Negative-QTOFsplash10-03di-9300000000-0f76d8993b5fd4cd5b6b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 10V, Negative-QTOFsplash10-001i-0329000000-7a800da0a94fe1013f192021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 20V, Negative-QTOFsplash10-06ss-7791000000-2052b7e618d4e9ecbbe82021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 40V, Negative-QTOFsplash10-01r7-9600000000-07208904e99ff0f336982021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 10V, Positive-QTOFsplash10-000i-0139000000-01e4c0c1d065ab8b458c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 20V, Positive-QTOFsplash10-06uu-1961000000-379460e46f591193cd282021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Formylglutathione 40V, Positive-QTOFsplash10-001r-9500000000-6c89c9382a5e5647ed692021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
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 IDFDB022685
KNApSAcK IDNot Available
Chemspider ID164320
KEGG Compound IDC01031
BioCyc IDCPD-548
BiGG ID1485290
Wikipedia LinkNot Available
METLIN ID3469
PubChem Compound189122
PDB IDNot Available
ChEBI ID16225
Food Biomarker OntologyNot Available
VMH IDSFGLUTTH
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Koivusalo M, Baumann M, Uotila L: Evidence for the identity of glutathione-dependent formaldehyde dehydrogenase and class III alcohol dehydrogenase. FEBS Lett. 1989 Oct 23;257(1):105-9. [PubMed:2806555 ]

Enzymes

General function:
Involved in carboxylesterase activity
Specific function:
Serine hydrolase involved in the detoxification of formaldehyde.
Gene Name:
ESD
Uniprot ID:
P10768
Molecular weight:
31462.545
Reactions
S-Formylglutathione + Water → Glutathione + Formic aciddetails
General function:
Involved in zinc ion binding
Specific function:
Class-III ADH is remarkably ineffective in oxidizing ethanol, but it readily catalyzes the oxidation of long-chain primary alcohols and the oxidation of S-(hydroxymethyl) glutathione.
Gene Name:
ADH5
Uniprot ID:
P11766
Molecular weight:
39723.945
Reactions
S-Hydroxymethylglutathione + NAD(P)(+) → S-Formylglutathione + NAD(P)Hdetails
S-Hydroxymethylglutathione + NAD → S-Formylglutathione + NADH + Hydrogen Iondetails