Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:25 UTC
Update Date2021-09-14 15:19:56 UTC
HMDB IDHMDB0028772
Secondary Accession Numbers
  • HMDB28772
Metabolite Identification
Common NameCysteinyl-Cysteine
DescriptionCysteinyl-Cysteine is a dipeptied compoosed of two cysteine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.
Structure
Data?1582753338
Synonyms
ValueSource
C-C DipeptideHMDB
CC DipeptideHMDB
Cys-cysHMDB
Cysteine cysteine dipeptideHMDB
Cysteine-cysteine dipeptideHMDB
CysteinylcysteineHMDB, MeSH
L-Cysteinyl-L-cysteineHMDB
2-[(2-Amino-1-hydroxy-3-sulfanylpropylidene)amino]-3-sulfanylpropanoateGenerator, HMDB
2-[(2-Amino-1-hydroxy-3-sulphanylpropylidene)amino]-3-sulphanylpropanoateGenerator, HMDB
2-[(2-Amino-1-hydroxy-3-sulphanylpropylidene)amino]-3-sulphanylpropanoic acidGenerator, HMDB
Chemical FormulaC6H12N2O3S2
Average Molecular Weight224.301
Monoisotopic Molecular Weight224.02893364
IUPAC Name2-(2-amino-3-sulfanylpropanamido)-3-sulfanylpropanoic acid
Traditional Name2-(2-amino-3-sulfanylpropanamido)-3-sulfanylpropanoic acid
CAS Registry NumberNot Available
SMILES
NC(CS)C(=O)NC(CS)C(O)=O
InChI Identifier
InChI=1S/C6H12N2O3S2/c7-3(1-12)5(9)8-4(2-13)6(10)11/h3-4,12-13H,1-2,7H2,(H,8,9)(H,10,11)
InChI KeyOABOXRPGTFRBFZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid or derivatives
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Alkylthiol
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Primary aliphatic amine
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-3.28Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.07 g/LALOGPS
logP-1.8ALOGPS
logP-3.3ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)3.61ChemAxon
pKa (Strongest Basic)8.07ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area92.42 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity53.25 m³·mol⁻¹ChemAxon
Polarizability21.79 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]+147.73231661259
DarkChem[M-H]-146.92331661259
DeepCCS[M+H]+162.58630932474
DeepCCS[M-H]-158.56530932474
DeepCCS[M-2H]-195.84930932474
DeepCCS[M+Na]+171.6830932474
AllCCS[M+H]+147.732859911
AllCCS[M+H-H2O]+144.432859911
AllCCS[M+NH4]+150.832859911
AllCCS[M+Na]+151.732859911
AllCCS[M-H]-144.632859911
AllCCS[M+Na-2H]-146.232859911
AllCCS[M+HCOO]-148.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cysteinyl-CysteineNC(CS)C(=O)NC(CS)C(O)=O3236.4Standard polar33892256
Cysteinyl-CysteineNC(CS)C(=O)NC(CS)C(O)=O1893.1Standard non polar33892256
Cysteinyl-CysteineNC(CS)C(=O)NC(CS)C(O)=O2340.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cysteinyl-Cysteine,1TMS,isomer #1C[Si](C)(C)OC(=O)C(CS)NC(=O)C(N)CS2101.6Semi standard non polar33892256
Cysteinyl-Cysteine,1TMS,isomer #2C[Si](C)(C)SCC(N)C(=O)NC(CS)C(=O)O2187.2Semi standard non polar33892256
Cysteinyl-Cysteine,1TMS,isomer #3C[Si](C)(C)SCC(NC(=O)C(N)CS)C(=O)O2177.8Semi standard non polar33892256
Cysteinyl-Cysteine,1TMS,isomer #4C[Si](C)(C)NC(CS)C(=O)NC(CS)C(=O)O2146.7Semi standard non polar33892256
Cysteinyl-Cysteine,1TMS,isomer #5C[Si](C)(C)N(C(=O)C(N)CS)C(CS)C(=O)O2089.9Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)C(N)CS2194.7Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)C(N)CS2005.0Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #10C[Si](C)(C)N(C(CS)C(=O)NC(CS)C(=O)O)[Si](C)(C)C2300.7Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #10C[Si](C)(C)N(C(CS)C(=O)NC(CS)C(=O)O)[Si](C)(C)C2089.5Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #11C[Si](C)(C)NC(CS)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C2182.1Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #11C[Si](C)(C)NC(CS)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C2006.3Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #2C[Si](C)(C)OC(=O)C(CS)NC(=O)C(N)CS[Si](C)(C)C2232.8Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #2C[Si](C)(C)OC(=O)C(CS)NC(=O)C(N)CS[Si](C)(C)C2078.1Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #3C[Si](C)(C)NC(CS)C(=O)NC(CS)C(=O)O[Si](C)(C)C2201.3Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #3C[Si](C)(C)NC(CS)C(=O)NC(CS)C(=O)O[Si](C)(C)C2002.1Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #4C[Si](C)(C)OC(=O)C(CS)N(C(=O)C(N)CS)[Si](C)(C)C2058.8Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #4C[Si](C)(C)OC(=O)C(CS)N(C(=O)C(N)CS)[Si](C)(C)C1959.7Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #5C[Si](C)(C)SCC(N)C(=O)NC(CS[Si](C)(C)C)C(=O)O2303.4Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #5C[Si](C)(C)SCC(N)C(=O)NC(CS[Si](C)(C)C)C(=O)O2249.9Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #6C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)NC(CS)C(=O)O2252.0Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #6C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)NC(CS)C(=O)O2101.9Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #7C[Si](C)(C)SCC(N)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C2186.0Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #7C[Si](C)(C)SCC(N)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C2135.8Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #8C[Si](C)(C)NC(CS)C(=O)NC(CS[Si](C)(C)C)C(=O)O2251.8Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #8C[Si](C)(C)NC(CS)C(=O)NC(CS[Si](C)(C)C)C(=O)O2111.7Standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #9C[Si](C)(C)SCC(C(=O)O)N(C(=O)C(N)CS)[Si](C)(C)C2184.1Semi standard non polar33892256
Cysteinyl-Cysteine,2TMS,isomer #9C[Si](C)(C)SCC(C(=O)O)N(C(=O)C(N)CS)[Si](C)(C)C2032.4Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)C(N)CS[Si](C)(C)C2297.0Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)C(N)CS[Si](C)(C)C2239.8Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #10C[Si](C)(C)SCC(C(=O)NC(CS)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2410.1Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #10C[Si](C)(C)SCC(C(=O)NC(CS)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2268.8Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #11C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C2261.4Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #11C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C2225.6Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #12C[Si](C)(C)SCC(NC(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2426.3Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #12C[Si](C)(C)SCC(NC(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2299.8Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #13C[Si](C)(C)NC(CS)C(=O)N(C(CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2292.0Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #13C[Si](C)(C)NC(CS)C(=O)N(C(CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2194.1Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #14C[Si](C)(C)N(C(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)C(CS)C(=O)O2302.2Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #14C[Si](C)(C)N(C(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)C(CS)C(=O)O2220.4Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #2C[Si](C)(C)NC(CS)C(=O)NC(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2251.2Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #2C[Si](C)(C)NC(CS)C(=O)NC(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2160.8Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)C(N)CS)[Si](C)(C)C2175.8Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)C(N)CS)[Si](C)(C)C2093.5Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #4C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)NC(CS)C(=O)O[Si](C)(C)C2256.3Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #4C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)NC(CS)C(=O)O[Si](C)(C)C2161.6Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #5C[Si](C)(C)OC(=O)C(CS)N(C(=O)C(N)CS[Si](C)(C)C)[Si](C)(C)C2197.4Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #5C[Si](C)(C)OC(=O)C(CS)N(C(=O)C(N)CS[Si](C)(C)C)[Si](C)(C)C2203.8Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #6C[Si](C)(C)OC(=O)C(CS)NC(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C2326.8Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #6C[Si](C)(C)OC(=O)C(CS)NC(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C2196.6Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #7C[Si](C)(C)NC(CS)C(=O)N(C(CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2177.8Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #7C[Si](C)(C)NC(CS)C(=O)N(C(CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2122.2Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #8C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)NC(CS[Si](C)(C)C)C(=O)O2347.3Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #8C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)NC(CS[Si](C)(C)C)C(=O)O2337.7Standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #9C[Si](C)(C)SCC(N)C(=O)N(C(CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2307.7Semi standard non polar33892256
Cysteinyl-Cysteine,3TMS,isomer #9C[Si](C)(C)SCC(N)C(=O)N(C(CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2329.2Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #1C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)NC(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2308.7Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #1C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)NC(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2315.2Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #10C[Si](C)(C)SCC(C(=O)N(C(CS)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2419.1Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #10C[Si](C)(C)SCC(C(=O)N(C(CS)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2400.2Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #11C[Si](C)(C)SCC(C(=O)O)N(C(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2429.9Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #11C[Si](C)(C)SCC(C(=O)O)N(C(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2395.9Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)C(N)CS[Si](C)(C)C)[Si](C)(C)C2288.3Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)C(N)CS[Si](C)(C)C)[Si](C)(C)C2335.8Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #3C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C2397.1Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #3C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C2366.7Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #4C[Si](C)(C)NC(CS)C(=O)N(C(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2255.7Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #4C[Si](C)(C)NC(CS)C(=O)N(C(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2254.4Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(CS)NC(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2359.1Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(CS)NC(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2326.4Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #6C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)N(C(CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2247.2Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #6C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)N(C(CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2298.5Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #7C[Si](C)(C)OC(=O)C(CS)N(C(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2324.9Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #7C[Si](C)(C)OC(=O)C(CS)N(C(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2332.3Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #8C[Si](C)(C)SCC(NC(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2488.7Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #8C[Si](C)(C)SCC(NC(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2468.6Standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #9C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)N(C(CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2343.5Semi standard non polar33892256
Cysteinyl-Cysteine,4TMS,isomer #9C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)N(C(CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2393.9Standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2430.2Semi standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2450.3Standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #2C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)N(C(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2342.9Semi standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #2C[Si](C)(C)NC(CS[Si](C)(C)C)C(=O)N(C(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2405.7Standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #3C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2409.8Semi standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #3C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)C(CS)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2468.1Standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #4C[Si](C)(C)OC(=O)C(CS)N(C(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2428.3Semi standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #4C[Si](C)(C)OC(=O)C(CS)N(C(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2465.2Standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #5C[Si](C)(C)SCC(C(=O)O)N(C(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2513.2Semi standard non polar33892256
Cysteinyl-Cysteine,5TMS,isomer #5C[Si](C)(C)SCC(C(=O)O)N(C(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2530.3Standard non polar33892256
Cysteinyl-Cysteine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2508.6Semi standard non polar33892256
Cysteinyl-Cysteine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)C(CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2556.7Standard non polar33892256
Cysteinyl-Cysteine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)C(N)CS2359.2Semi standard non polar33892256
Cysteinyl-Cysteine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)SCC(N)C(=O)NC(CS)C(=O)O2442.6Semi standard non polar33892256
Cysteinyl-Cysteine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)SCC(NC(=O)C(N)CS)C(=O)O2436.9Semi standard non polar33892256
Cysteinyl-Cysteine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CS)C(=O)NC(CS)C(=O)O2402.3Semi standard non polar33892256
Cysteinyl-Cysteine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C(N)CS)C(CS)C(=O)O2349.4Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)C(N)CS2697.4Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)C(N)CS2494.5Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(CS)C(=O)NC(CS)C(=O)O)[Si](C)(C)C(C)(C)C2770.3Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(CS)C(=O)NC(CS)C(=O)O)[Si](C)(C)C(C)(C)C2533.2Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CS)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C2668.9Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CS)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C2481.6Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)C(N)CS[Si](C)(C)C(C)(C)C2731.6Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)C(N)CS[Si](C)(C)C(C)(C)C2578.0Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CS)C(=O)NC(CS)C(=O)O[Si](C)(C)C(C)(C)C2668.5Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CS)C(=O)NC(CS)C(=O)O[Si](C)(C)C(C)(C)C2467.6Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)C(N)CS)[Si](C)(C)C(C)(C)C2561.7Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)C(N)CS)[Si](C)(C)C(C)(C)C2429.1Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)SCC(N)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O2825.0Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)SCC(N)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O2733.4Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)NC(CS)C(=O)O2744.7Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)NC(CS)C(=O)O2581.1Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)SCC(N)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C2715.7Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)SCC(N)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C2610.2Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CS)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O2762.1Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CS)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O2582.7Standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)C(N)CS)[Si](C)(C)C(C)(C)C2702.3Semi standard non polar33892256
Cysteinyl-Cysteine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)C(N)CS)[Si](C)(C)C(C)(C)C2490.0Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)C(N)CS[Si](C)(C)C(C)(C)C3042.3Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)C(N)CS[Si](C)(C)C(C)(C)C2932.3Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)SCC(C(=O)NC(CS)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3107.6Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)SCC(C(=O)NC(CS)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2904.2Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C2981.7Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C2873.6Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)SCC(NC(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3102.4Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)SCC(NC(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2927.7Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CS)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2995.6Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CS)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2837.1Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(C(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CS)C(=O)O2976.5Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(C(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CS)C(=O)O2834.6Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CS)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2976.6Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CS)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2836.3Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CS)[Si](C)(C)C(C)(C)C2909.8Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CS)[Si](C)(C)C(C)(C)C2749.1Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)NC(CS)C(=O)O[Si](C)(C)C(C)(C)C2968.9Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)NC(CS)C(=O)O[Si](C)(C)C(C)(C)C2835.0Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)C(N)CS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2926.4Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)C(N)CS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2865.0Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2988.8Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2823.0Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CS)C(=O)N(C(CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2866.1Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CS)C(=O)N(C(CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2772.9Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O3090.7Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O2978.6Standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)SCC(N)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3050.5Semi standard non polar33892256
Cysteinyl-Cysteine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)SCC(N)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2959.5Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3277.6Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3127.3Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)SCC(C(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3302.4Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)SCC(C(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3173.3Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3299.3Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3155.0Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3259.2Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3139.1Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3280.2Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3164.6Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CS)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3188.8Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CS)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3069.0Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3312.3Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3122.4Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)N(C(CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3155.8Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)N(C(CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3108.2Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3170.1Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3111.4Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)SCC(NC(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3420.1Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)SCC(NC(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3236.7Standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3288.4Semi standard non polar33892256
Cysteinyl-Cysteine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3156.3Standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3607.7Semi standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3373.1Standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3482.2Semi standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3314.0Standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3495.6Semi standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)C(CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3392.3Standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3490.4Semi standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3389.7Standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3618.0Semi standard non polar33892256
Cysteinyl-Cysteine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)C(CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3407.2Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (Non-derivatized) - 70eV, Positivesplash10-004m-8900000000-8ca33696c04ccd7b86112017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (1 TMS) - 70eV, Positivesplash10-004i-9830000000-8e8221eb1bd2990e48862017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cysteinyl-Cysteine GC-MS (TBDMS_1_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 10V, Positive-QTOFsplash10-004i-5890000000-59dbc2f2984050aef1142017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 20V, Positive-QTOFsplash10-004i-9300000000-4a2ff62578198710492a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 40V, Positive-QTOFsplash10-0adl-9000000000-5eebcee686848db4126a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 10V, Negative-QTOFsplash10-00dr-2980000000-7c77af101922cbbb3bac2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 20V, Negative-QTOFsplash10-0079-3920000000-239f39feb8b7cabb4a362017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 40V, Negative-QTOFsplash10-0089-9300000000-15853ac4bdca2ab88b082017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 10V, Positive-QTOFsplash10-004i-2090000000-04bef9a7544d4e8ad96b2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 20V, Positive-QTOFsplash10-004i-9300000000-7b0fa504fce6439e12f32021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 40V, Positive-QTOFsplash10-056r-9000000000-1510bfcd49b5ab295b7b2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 10V, Negative-QTOFsplash10-000i-2940000000-27f97422e3c30a3dfdc12021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 20V, Negative-QTOFsplash10-00di-9510000000-cf60cf42cec140b8daf82021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cysteinyl-Cysteine 40V, Negative-QTOFsplash10-05ir-9000000000-344f5530a19a745570b52021-10-11Wishart 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 IDFDB111823
KNApSAcK IDNot Available
Chemspider ID10776077
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound15607039
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 References
  1. Golimbet VE, Lebedeva IS, Monakhov MV, Korovaitseva GI, Lezheiko TV, Abramova LI, Kaleda VG, Karpov VL: [The Cys allele of the DRD2 (Ser311Cys polymorphism) is associated with schizophrenia and worse sustained attention in patients]. Zh Nevrol Psikhiatr Im S S Korsakova. 2009;109(9):67-70. [PubMed:19770837 ]
  2. Seabra MC, Brown MS, Slaughter CA, Sudhof TC, Goldstein JL: Purification of component A of Rab geranylgeranyl transferase: possible identity with the choroideremia gene product. Cell. 1992 Sep 18;70(6):1049-57. [PubMed:1525821 ]
  3. Giannakouros T, Newman CM, Armstrong J, Magee AI: Processing of the small GTP-binding protein SpYPT1p in Schizosaccharomyces pombe and in mammalian COS cells. Biochem Biophys Res Commun. 1993 May 14;192(3):983-90. [PubMed:8507210 ]
  4. Kawanabe Y, Okamoto Y, Hashimoto N, Masaki T: Molecular mechanisms for activation of voltage-independent Ca2+ channels by endothelin-1/endothelin-A receptors. J Cardiovasc Pharmacol. 2004 Nov;44 Suppl 1:S219-23. [PubMed:15838284 ]
  5. Song X, Geng Z, Li X, Zhao Q, Hu X, Zhang X, Wang Z: Functional and structural evaluation of cysteine residues in the human arsenic (+3 oxidation state) methyltransferase (hAS3MT). Biochimie. 2011 Feb;93(2):369-75. doi: 10.1016/j.biochi.2010.10.010. Epub 2010 Oct 30. [PubMed:20971157 ]
  6. Zimmermann J, Kuhne R, Sylvester M, Freund C: Redox-regulated conformational changes in an SH3 domain. Biochemistry. 2007 Jun 12;46(23):6971-7. Epub 2007 May 19. [PubMed:17511475 ]