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Showing metabocard for Glycyl-Cysteine (HMDB0028838)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:42 UTC
Update Date2023-02-21 17:18:36 UTC
HMDB IDHMDB0028838
Secondary Accession Numbers
  • HMDB28838
Metabolite Identification
Common NameGlycyl-Cysteine
DescriptionGlycyl-Cysteine is a dipeptide composed of glycine and cysteine. 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?1676999916
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0028838 (Glycyl-Cysteine)


  Mrv1652304062013412D          

 11 10  0  0  0  0            999 V2000
    2.4750   -2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -3.5724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
Download

3D MOL for HMDB0028838 (Glycyl-Cysteine)

HMDB0028838
     RDKit          3D
Glycyl-Cysteine
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.5717    1.1772   -0.5596 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090    0.3483    0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2562    0.4516   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232    1.1970   -1.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051   -0.3244    0.0500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.2633   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116    0.1781    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6865    1.8108    1.2180 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -1.6527   -0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7570   -2.6311   -0.7538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7832   -1.8067   -1.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4807    0.6899   -0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    1.4501   -1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9146   -0.7291   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656    0.5250    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -0.9613    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1984    0.4372   -1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261    0.1366    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0118   -0.5544    1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4670    2.7686    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -2.2474   -0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
 11 21  1  0
M  END
Download

3D SDF for HMDB0028838 (Glycyl-Cysteine)


  Mrv1652304062013412D          

 11 10  0  0  0  0            999 V2000
    2.4750   -2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -3.5724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028838

> <DATABASE_NAME>
hmdb

> <SMILES>
NCC(=O)NC(CS)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H10N2O3S/c6-1-4(8)7-3(2-11)5(9)10/h3,11H,1-2,6H2,(H,7,8)(H,9,10)

> <INCHI_KEY>
MFBYPDKTAJXHNI-UHFFFAOYSA-N

> <FORMULA>
C5H10N2O3S

> <MOLECULAR_WEIGHT>
178.21

> <EXACT_MASS>
178.041212886

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
16.787782534635028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-aminoacetamido)-3-sulfanylpropanoic acid

> <ALOGPS_LOGP>
-2.64

> <JCHEM_LOGP>
-3.900244723533756

> <ALOGPS_LOGS>
-1.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.054624624930566

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5430908408430475

> <JCHEM_PKA_STRONGEST_BASIC>
8.134196342806995

> <JCHEM_POLAR_SURFACE_AREA>
92.42000000000002

> <JCHEM_REFRACTIVITY>
41.027100000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.82e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2-aminoacetamido)-3-sulfanylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0028838 (Glycyl-Cysteine)

HMDB0028838
     RDKit          3D
Glycyl-Cysteine
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.5717    1.1772   -0.5596 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090    0.3483    0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2562    0.4516   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232    1.1970   -1.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051   -0.3244    0.0500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.2633   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116    0.1781    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6865    1.8108    1.2180 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -1.6527   -0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7570   -2.6311   -0.7538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7832   -1.8067   -1.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4807    0.6899   -0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    1.4501   -1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9146   -0.7291   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656    0.5250    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -0.9613    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1984    0.4372   -1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261    0.1366    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0118   -0.5544    1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4670    2.7686    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -2.2474   -0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
 11 21  1  0
M  END
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PDB for HMDB0028838 (Glycyl-Cysteine)

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  N   UNK     0       4.620  -5.335   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       3.850  -4.001   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.620  -2.667   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.310  -4.001   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       1.540  -2.667   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       6.160  -5.335   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.930  -6.668   0.000  0.00  0.00           C+0
HETATM    8  S   UNK     0       8.470  -6.668   0.000  0.00  0.00           S+0
HETATM    9  C   UNK     0       6.930  -4.001   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.160  -2.667   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       8.470  -4.001   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4                                                            
CONECT    6    1    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for HMDB0028838 (Glycyl-Cysteine)

COMPND    HMDB0028838
HETATM    1  N1  UNL     1       3.572   1.177  -0.560  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.609   0.348   0.092  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.256   0.452  -0.507  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.023   1.197  -1.480  1.00  0.00           O  
HETATM    5  N2  UNL     1       0.205  -0.324   0.050  1.00  0.00           N  
HETATM    6  C3  UNL     1      -1.138  -0.263  -0.495  1.00  0.00           C  
HETATM    7  C4  UNL     1      -2.112   0.178   0.577  1.00  0.00           C  
HETATM    8  S1  UNL     1      -1.686   1.811   1.218  1.00  0.00           S  
HETATM    9  C5  UNL     1      -1.505  -1.653  -0.891  1.00  0.00           C  
HETATM   10  O2  UNL     1      -0.757  -2.631  -0.754  1.00  0.00           O  
HETATM   11  O3  UNL     1      -2.783  -1.807  -1.448  1.00  0.00           O  
HETATM   12  H1  UNL     1       4.481   0.690  -0.579  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.268   1.450  -1.521  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.915  -0.729  -0.031  1.00  0.00           H  
HETATM   15  H4  UNL     1       2.566   0.525   1.196  1.00  0.00           H  
HETATM   16  H5  UNL     1       0.356  -0.961   0.864  1.00  0.00           H  
HETATM   17  H6  UNL     1      -1.198   0.437  -1.353  1.00  0.00           H  
HETATM   18  H7  UNL     1      -3.126   0.137   0.150  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.012  -0.554   1.416  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.467   2.769   0.516  1.00  0.00           H  
HETATM   21  H10 UNL     1      -3.466  -2.247  -0.834  1.00  0.00           H  
CONECT    1    2   12   13
CONECT    2    3   14   15
CONECT    3    4    4    5
CONECT    5    6   16
CONECT    6    7    9   17
CONECT    7    8   18   19
CONECT    8   20
CONECT    9   10   10   11
CONECT   11   21
END
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SMILES for HMDB0028838 (Glycyl-Cysteine)

NCC(=O)NC(CS)C(O)=O
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INCHI for HMDB0028838 (Glycyl-Cysteine)

InChI=1S/C5H10N2O3S/c6-1-4(8)7-3(2-11)5(9)10/h3,11H,1-2,6H2,(H,7,8)(H,9,10)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
g-C DipeptideHMDB
GC DipeptideHMDB
Gly-cysHMDB
Glycine cysteine dipeptideHMDB
Glycine-cysteine dipeptideHMDB
GlycylcysteineHMDB
L-Glycyl-L-cysteineHMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-sulfanylpropanoateHMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-sulphanylpropanoateHMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-sulphanylpropanoic acidHMDB
Chemical FormulaC5H10N2O3S
Average Molecular Weight178.21
Monoisotopic Molecular Weight178.041212886
IUPAC Name2-(2-aminoacetamido)-3-sulfanylpropanoic acid
Traditional Name2-(2-aminoacetamido)-3-sulfanylpropanoic acid
CAS Registry NumberNot Available
SMILES
NCC(=O)NC(CS)C(O)=O
InChI Identifier
InChI=1S/C5H10N2O3S/c6-1-4(8)7-3(2-11)5(9)10/h3,11H,1-2,6H2,(H,7,8)(H,9,10)
InChI KeyMFBYPDKTAJXHNI-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
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-3.9Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.82 g/LALOGPS
logP-2.6ALOGPS
logP-3.9ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)3.54ChemAxon
pKa (Strongest Basic)8.13ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area92.42 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity41.03 m³·mol⁻¹ChemAxon
Polarizability16.79 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]+138.48631661259
DarkChem[M-H]-136.08931661259
DeepCCS[M+H]+139.6530932474
DeepCCS[M-H]-135.84830932474
DeepCCS[M-2H]-172.69330932474
DeepCCS[M+Na]+148.3730932474
AllCCS[M+H]+138.932859911
AllCCS[M+H-H2O]+135.232859911
AllCCS[M+NH4]+142.432859911
AllCCS[M+Na]+143.432859911
AllCCS[M-H]-133.932859911
AllCCS[M+Na-2H]-135.932859911
AllCCS[M+HCOO]-138.132859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.1.0 minutes32390414
Predicted by Siyang on May 30, 20229.943 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20228.8 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid317.8 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1049.5 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid320.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid55.6 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid181.7 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid73.4 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid277.4 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid270.9 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)848.4 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid625.8 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid42.9 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid926.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid209.2 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid175.7 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate629.7 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA376.7 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water310.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Glycyl-CysteineNCC(=O)NC(CS)C(O)=O2562.2Standard polar33892256
Glycyl-CysteineNCC(=O)NC(CS)C(O)=O1718.1Standard non polar33892256
Glycyl-CysteineNCC(=O)NC(CS)C(O)=O1969.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycyl-Cysteine,1TMS,isomer #1C[Si](C)(C)OC(=O)C(CS)NC(=O)CN1810.4Semi standard non polar33892256
Glycyl-Cysteine,1TMS,isomer #2C[Si](C)(C)SCC(NC(=O)CN)C(=O)O1876.3Semi standard non polar33892256
Glycyl-Cysteine,1TMS,isomer #3C[Si](C)(C)NCC(=O)NC(CS)C(=O)O1840.3Semi standard non polar33892256
Glycyl-Cysteine,1TMS,isomer #4C[Si](C)(C)N(C(=O)CN)C(CS)C(=O)O1785.1Semi standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)CN1943.4Semi standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)CN1807.1Standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #2C[Si](C)(C)NCC(=O)NC(CS)C(=O)O[Si](C)(C)C1903.6Semi standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #2C[Si](C)(C)NCC(=O)NC(CS)C(=O)O[Si](C)(C)C1758.3Standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CS)N(C(=O)CN)[Si](C)(C)C1777.6Semi standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CS)N(C(=O)CN)[Si](C)(C)C1780.1Standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #4C[Si](C)(C)NCC(=O)NC(CS[Si](C)(C)C)C(=O)O1980.7Semi standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #4C[Si](C)(C)NCC(=O)NC(CS[Si](C)(C)C)C(=O)O1942.5Standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #5C[Si](C)(C)SCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C1913.6Semi standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #5C[Si](C)(C)SCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C1951.7Standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #6C[Si](C)(C)N(CC(=O)NC(CS)C(=O)O)[Si](C)(C)C2038.0Semi standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #6C[Si](C)(C)N(CC(=O)NC(CS)C(=O)O)[Si](C)(C)C1859.3Standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #7C[Si](C)(C)NCC(=O)N(C(CS)C(=O)O)[Si](C)(C)C1904.9Semi standard non polar33892256
Glycyl-Cysteine,2TMS,isomer #7C[Si](C)(C)NCC(=O)N(C(CS)C(=O)O)[Si](C)(C)C1836.5Standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #1C[Si](C)(C)NCC(=O)NC(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2014.9Semi standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #1C[Si](C)(C)NCC(=O)NC(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C1939.7Standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C1928.1Semi standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C1958.3Standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(CS)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2073.8Semi standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(CS)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C1948.4Standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #4C[Si](C)(C)NCC(=O)N(C(CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C1901.0Semi standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #4C[Si](C)(C)NCC(=O)N(C(CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C1902.4Standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #5C[Si](C)(C)SCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2176.5Semi standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #5C[Si](C)(C)SCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2138.4Standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #6C[Si](C)(C)NCC(=O)N(C(CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2021.9Semi standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #6C[Si](C)(C)NCC(=O)N(C(CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2067.2Standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #7C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CS)C(=O)O2056.4Semi standard non polar33892256
Glycyl-Cysteine,3TMS,isomer #7C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CS)C(=O)O2016.0Standard non polar33892256
Glycyl-Cysteine,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2167.0Semi standard non polar33892256
Glycyl-Cysteine,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2113.2Standard non polar33892256
Glycyl-Cysteine,4TMS,isomer #2C[Si](C)(C)NCC(=O)N(C(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2007.0Semi standard non polar33892256
Glycyl-Cysteine,4TMS,isomer #2C[Si](C)(C)NCC(=O)N(C(CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2042.3Standard non polar33892256
Glycyl-Cysteine,4TMS,isomer #3C[Si](C)(C)OC(=O)C(CS)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2062.4Semi standard non polar33892256
Glycyl-Cysteine,4TMS,isomer #3C[Si](C)(C)OC(=O)C(CS)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2075.8Standard non polar33892256
Glycyl-Cysteine,4TMS,isomer #4C[Si](C)(C)SCC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2174.2Semi standard non polar33892256
Glycyl-Cysteine,4TMS,isomer #4C[Si](C)(C)SCC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2206.7Standard non polar33892256
Glycyl-Cysteine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2199.1Semi standard non polar33892256
Glycyl-Cysteine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2190.1Standard non polar33892256
Glycyl-Cysteine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)CN2071.3Semi standard non polar33892256
Glycyl-Cysteine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)SCC(NC(=O)CN)C(=O)O2121.7Semi standard non polar33892256
Glycyl-Cysteine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCC(=O)NC(CS)C(=O)O2100.1Semi standard non polar33892256
Glycyl-Cysteine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CS)C(=O)O2053.2Semi standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CN2433.7Semi standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CN2272.4Standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)NC(CS)C(=O)O[Si](C)(C)C(C)(C)C2378.5Semi standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)NC(CS)C(=O)O[Si](C)(C)C(C)(C)C2207.0Standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)CN)[Si](C)(C)C(C)(C)C2282.7Semi standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)CN)[Si](C)(C)C(C)(C)C2220.1Standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O2473.9Semi standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O2379.1Standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C2434.9Semi standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C2361.8Standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CC(=O)NC(CS)C(=O)O)[Si](C)(C)C(C)(C)C2492.4Semi standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CC(=O)NC(CS)C(=O)O)[Si](C)(C)C(C)(C)C2259.8Standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCC(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C2397.3Semi standard non polar33892256
Glycyl-Cysteine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCC(=O)N(C(CS)C(=O)O)[Si](C)(C)C(C)(C)C2272.3Standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2684.2Semi standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2591.3Standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C2626.3Semi standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C2576.5Standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2739.8Semi standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2531.7Standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)N(C(CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2590.6Semi standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)N(C(CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2531.1Standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)SCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2837.4Semi standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)SCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2701.2Standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2732.2Semi standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)N(C(CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2644.9Standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CS)C(=O)O2716.2Semi standard non polar33892256
Glycyl-Cysteine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CS)C(=O)O2582.5Standard non polar33892256
Glycyl-Cysteine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3051.3Semi standard non polar33892256
Glycyl-Cysteine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2873.3Standard non polar33892256
Glycyl-Cysteine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=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)C2927.8Semi standard non polar33892256
Glycyl-Cysteine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=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)C2817.3Standard non polar33892256
Glycyl-Cysteine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2916.1Semi standard non polar33892256
Glycyl-Cysteine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CS)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2823.5Standard non polar33892256
Glycyl-Cysteine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3051.7Semi standard non polar33892256
Glycyl-Cysteine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)SCC(C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2899.3Standard non polar33892256
Glycyl-Cysteine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3249.8Semi standard non polar33892256
Glycyl-Cysteine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3075.5Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Cysteine GC-MS (Non-derivatized) - 70eV, Positivesplash10-053r-9300000000-c9c5b4a7b971b75068502017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Cysteine GC-MS (1 TMS) - 70eV, Positivesplash10-05gi-9110000000-51b00ee4529161cfdd1a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Cysteine 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 - Glycyl-Cysteine 10V, Positive-QTOFsplash10-01u0-4900000000-571c4759bb6977bbf2582017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 20V, Positive-QTOFsplash10-053r-9400000000-c4237f7c3a0caaf2f0432017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 40V, Positive-QTOFsplash10-053r-9000000000-6eff1d4eba4c2850abd12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 10V, Negative-QTOFsplash10-004i-1900000000-0bcd0243ab34aeb07a3a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 20V, Negative-QTOFsplash10-05cv-6900000000-997a3e75d1cfd3a486452017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 40V, Negative-QTOFsplash10-008c-9200000000-1dd53e166690f264d8902017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 10V, Positive-QTOFsplash10-05fr-0900000000-134cd417662a188be7132021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 20V, Positive-QTOFsplash10-0ab9-3900000000-a8d2e7054fc50258df312021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 40V, Positive-QTOFsplash10-00b9-9000000000-3cef2dca4dd87682cee62021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 10V, Negative-QTOFsplash10-000i-8900000000-5331a9083e67f1c907482021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 20V, Negative-QTOFsplash10-0089-9100000000-b77ef0d84b96e446ae9d2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Cysteine 40V, Negative-QTOFsplash10-0536-9000000000-e2d5b7bb0a404a2a92202021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX 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 IDFDB111877
KNApSAcK IDNot Available
Chemspider ID11360432
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound22342009
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. Daly TA, Almeida PF, Regen SL: Sorting of lipidated peptides in fluid bilayers: a molecular-level investigation. J Am Chem Soc. 2012 Oct 17;134(41):17245-52. doi: 10.1021/ja3074825. Epub 2012 Oct 4. [PubMed:22998217 ]
  2. Ferro VA, O'Grady JE, Notman J, Stimson WH: Development of a hormone neutralizing vaccine, using GnRH-glycys-PPD, for use in the treatment of oestrogen-dependent disorders. Ther Immunol. 1995 Jun;2(3):147-57. [PubMed:8885133 ]
  3. Ferro VA, Stimson WH: Effects of adjuvant, dose and carrier pre-sensitisation on the immunisation efficacy of a GnRH analogue. Drug Des Discov. 1996 Dec;14(3):179-95. [PubMed:9017362 ]
  4. Ferro VA, Stimson WH: Investigation into suitable carrier molecules for use in an anti-gonadotrophin releasing hormone vaccine. Vaccine. 1998 Jul;16(11-12):1095-102. [PubMed:9682364 ]
  5. Ke Y, Zhao J, Siu KW, Hopkinson AC: Dissociation of copper(II) ternary complexes containing cystine. Phys Chem Chem Phys. 2010 Aug 21;12(31):9017-28. doi: 10.1039/c001908a. Epub 2010 Jun 10. [PubMed:20539872 ]
  6. Greenfield NJ, Stafford WF, Hitchcock-DeGregori SE: The effect of N-terminal acetylation on the structure of an N-terminal tropomyosin peptide and alpha alpha-tropomyosin. Protein Sci. 1994 Mar;3(3):402-10. [PubMed:8019411 ]
  7. Ferro VA, Stimson WH: Immunoneutralisation of gonadotrophin releasing hormone: a potential treatment for oestrogen-dependent breast cancer. Eur J Cancer. 1997 Aug;33(9):1468-78. [PubMed:9337691 ]
  8. Ferro VA, O'Grady JE, Notman J, Stimson WH: An investigation into the immunogenicity of a GnRH analogue in male rats: a comparison of the toxicity of various adjuvants used in conjunction with GnRH-glycys. Vaccine. 1996 Apr;14(5):451-7. [PubMed:8735559 ]
  9. Green DE: The reduction potentials of cysteine, glutathione and glycylcysteine. Biochem J. 1933;27(3):678-89. [PubMed:16745144 ]
  10. Dringen R, Kranich O, Loschmann PA, Hamprecht B: Use of dipeptides for the synthesis of glutathione by astroglia-rich primary cultures. J Neurochem. 1997 Aug;69(2):868-74. [PubMed:9231749 ]