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Showing metabocard for Glycyl-Glutamate (HMDB0028840)

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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 IDHMDB0028840
Secondary Accession Numbers
  • HMDB28840
Metabolite Identification
Common NameGlycyl-Glutamate
DescriptionGlycyl-Glutamate is a dipeptide composed of glycine and glutamate. 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 HMDB0028840 (Glycyl-Glutamate)


  Mrv1652304062013422D          

 14 13  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 N   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
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    3.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0028840 (Glycyl-Glutamate)

HMDB0028840
     RDKit          3D
Glycyl-Glutamate
 26 25  0  0  0  0  0  0  0  0999 V2000
   -3.5919    0.6042    1.2552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3926    0.8663   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609    0.4523   -0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7393    0.6252   -1.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037   -0.1463    0.2746 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2304   -0.5438   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2228    0.1901    0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576   -0.0352    0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    0.3247   -1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714   -0.5643   -1.8597 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1543    1.6556   -1.3959 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3634   -1.9867    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769   -2.6220    0.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5105   -2.6553   -0.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320    0.9608    1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053    1.1361    1.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2212    0.3669   -0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5019    1.9692   -0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914   -0.2843    1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2778   -0.2692   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620   -0.1928    1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732    1.2738    0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9389   -1.0809    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2453    0.6240    1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2296    2.3743   -0.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7008   -3.0429   -1.2566 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
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  5 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
 11 25  1  0
 14 26  1  0
M  END
Download

3D SDF for HMDB0028840 (Glycyl-Glutamate)


  Mrv1652304062013422D          

 14 13  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 N   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
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    3.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028840

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)

> <INCHI_KEY>
IEFJWDNGDZAYNZ-UHFFFAOYSA-N

> <FORMULA>
C7H12N2O5

> <MOLECULAR_WEIGHT>
204.182

> <EXACT_MASS>
204.074621494

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
18.784593258552242

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-aminoacetamido)pentanedioic acid

> <ALOGPS_LOGP>
-3.54

> <JCHEM_LOGP>
-4.610645640358547

> <ALOGPS_LOGS>
-0.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.020801097743273

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.173524040252145

> <JCHEM_PKA_STRONGEST_BASIC>
8.139560109176498

> <JCHEM_POLAR_SURFACE_AREA>
129.72

> <JCHEM_REFRACTIVITY>
44.0912

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.91e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2-aminoacetamido)pentanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0028840 (Glycyl-Glutamate)

HMDB0028840
     RDKit          3D
Glycyl-Glutamate
 26 25  0  0  0  0  0  0  0  0999 V2000
   -3.5919    0.6042    1.2552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3926    0.8663   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609    0.4523   -0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7393    0.6252   -1.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037   -0.1463    0.2746 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2304   -0.5438   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2228    0.1901    0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576   -0.0352    0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    0.3247   -1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714   -0.5643   -1.8597 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1543    1.6556   -1.3959 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3634   -1.9867    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769   -2.6220    0.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5105   -2.6553   -0.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320    0.9608    1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053    1.1361    1.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2212    0.3669   -0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5019    1.9692   -0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914   -0.2843    1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2778   -0.2692   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620   -0.1928    1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732    1.2738    0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9389   -1.0809    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2453    0.6240    1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2296    2.3743   -0.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7008   -3.0429   -1.2566 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
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  5 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
 11 25  1  0
 14 26  1  0
M  END
Download

PDB for HMDB0028840 (Glycyl-Glutamate)

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       5.596   4.771   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       8.264   6.311   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0       9.597   4.001   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      16.266   4.771   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      14.932   2.461   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      10.931   6.311   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      12.265   7.081   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       9.597   7.081   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    6   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
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3D PDB for HMDB0028840 (Glycyl-Glutamate)

COMPND    HMDB0252879
HETATM    1  N1  UNL     1       3.902  -0.296  -2.511  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.391  -0.105  -1.162  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.941  -0.319  -1.103  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.311  -0.627  -2.140  1.00  0.00           O  
HETATM    5  N2  UNL     1       1.201  -0.192   0.099  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.243  -0.404   0.171  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.955   0.865   0.506  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.453   0.767   0.605  1.00  0.00           C  
HETATM    9  C6  UNL     1      -3.042   2.119   0.911  1.00  0.00           C  
HETATM   10  O2  UNL     1      -2.313   3.124   1.047  1.00  0.00           O  
HETATM   11  O3  UNL     1      -4.406   2.250   1.043  1.00  0.00           O  
HETATM   12  C7  UNL     1      -0.572  -1.563   0.999  1.00  0.00           C  
HETATM   13  O4  UNL     1       0.335  -2.189   1.583  1.00  0.00           O  
HETATM   14  O5  UNL     1      -1.864  -1.978   1.146  1.00  0.00           O  
HETATM   15  H1  UNL     1       4.702   0.361  -2.711  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.274  -1.261  -2.623  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.895  -0.880  -0.523  1.00  0.00           H  
HETATM   18  H4  UNL     1       3.706   0.909  -0.836  1.00  0.00           H  
HETATM   19  H5  UNL     1       1.663   0.061   0.997  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.550  -0.660  -0.884  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.544   1.307   1.459  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.685   1.643  -0.263  1.00  0.00           H  
HETATM   23  H9  UNL     1      -2.827   0.374  -0.358  1.00  0.00           H  
HETATM   24  H10 UNL     1      -2.726   0.064   1.449  1.00  0.00           H  
HETATM   25  H11 UNL     1      -5.001   1.431   1.062  1.00  0.00           H  
HETATM   26  H12 UNL     1      -2.138  -2.372   2.037  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   17   18
CONECT    3    4    4    5
CONECT    5    6   19
CONECT    6    7   12   20
CONECT    7    8   21   22
CONECT    8    9   23   24
CONECT    9   10   10   11
CONECT   11   25
CONECT   12   13   13   14
CONECT   14   26
END
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SMILES for HMDB0028840 (Glycyl-Glutamate)

NCC(=O)NC(CCC(O)=O)C(O)=O
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INCHI for HMDB0028840 (Glycyl-Glutamate)

InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Glycyl-glutamic acidGenerator
g-e DipeptideHMDB
GE dipeptideHMDB
Gly-gluHMDB
Glycine glutamate dipeptideHMDB
Glycine-glutamate dipeptideHMDB
GlycylglutamateHMDB
L-Glycyl-L-glutamateHMDB
N-Glycylglutamic acidMeSH, HMDB
2-[(2-Amino-1-hydroxyethylidene)amino]pentanedioateGenerator, HMDB
Chemical FormulaC7H12N2O5
Average Molecular Weight204.182
Monoisotopic Molecular Weight204.074621494
IUPAC Name2-(2-aminoacetamido)pentanedioic acid
Traditional Name2-(2-aminoacetamido)pentanedioic acid
CAS Registry NumberNot Available
SMILES
NCC(=O)NC(CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)
InChI KeyIEFJWDNGDZAYNZ-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
  • Glutamic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organooxygen compound
  • Primary amine
  • Amine
  • Hydrocarbon derivative
  • 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-4.61Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility67.3 g/LALOGPS
logP-3.5ALOGPS
logP-4.6ChemAxon
logS-0.85ALOGPS
pKa (Strongest Acidic)3.17ChemAxon
pKa (Strongest Basic)8.14ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity44.09 m³·mol⁻¹ChemAxon
Polarizability18.78 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]+146.77831661259
DarkChem[M-H]-141.17331661259
DeepCCS[M+H]+139.730932474
DeepCCS[M-H]-135.87230932474
DeepCCS[M-2H]-173.25630932474
DeepCCS[M+Na]+148.79530932474
AllCCS[M+H]+143.832859911
AllCCS[M+H-H2O]+140.232859911
AllCCS[M+NH4]+147.232859911
AllCCS[M+Na]+148.132859911
AllCCS[M-H]-140.032859911
AllCCS[M+Na-2H]-140.932859911
AllCCS[M+HCOO]-142.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Glycyl-GlutamateNCC(=O)NC(CCC(O)=O)C(O)=O2810.1Standard polar33892256
Glycyl-GlutamateNCC(=O)NC(CCC(O)=O)C(O)=O1749.9Standard non polar33892256
Glycyl-GlutamateNCC(=O)NC(CCC(O)=O)C(O)=O2141.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycyl-Glutamate,1TMS,isomer #1C[Si](C)(C)OC(=O)CCC(NC(=O)CN)C(=O)O1990.5Semi standard non polar33892256
Glycyl-Glutamate,1TMS,isomer #2C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)CN1965.1Semi standard non polar33892256
Glycyl-Glutamate,1TMS,isomer #3C[Si](C)(C)NCC(=O)NC(CCC(=O)O)C(=O)O2019.0Semi standard non polar33892256
Glycyl-Glutamate,1TMS,isomer #4C[Si](C)(C)N(C(=O)CN)C(CCC(=O)O)C(=O)O1999.2Semi standard non polar33892256
Glycyl-Glutamate,2TMS,isomer #1C[Si](C)(C)OC(=O)CCC(NC(=O)CN)C(=O)O[Si](C)(C)C2020.8Semi standard non polar33892256
Glycyl-Glutamate,2TMS,isomer #2C[Si](C)(C)NCC(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O2078.8Semi standard non polar33892256
Glycyl-Glutamate,2TMS,isomer #3C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C2020.2Semi standard non polar33892256
Glycyl-Glutamate,2TMS,isomer #4C[Si](C)(C)NCC(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C2085.8Semi standard non polar33892256
Glycyl-Glutamate,2TMS,isomer #5C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)CN)[Si](C)(C)C2020.2Semi standard non polar33892256
Glycyl-Glutamate,2TMS,isomer #6C[Si](C)(C)N(CC(=O)NC(CCC(=O)O)C(=O)O)[Si](C)(C)C2207.2Semi standard non polar33892256
Glycyl-Glutamate,2TMS,isomer #7C[Si](C)(C)NCC(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C2109.1Semi standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #1C[Si](C)(C)NCC(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2113.4Semi standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #1C[Si](C)(C)NCC(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2026.9Standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #2C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C2012.2Semi standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #2C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C2020.6Standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #3C[Si](C)(C)OC(=O)CCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2274.9Semi standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #3C[Si](C)(C)OC(=O)CCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2185.7Standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #4C[Si](C)(C)NCC(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2116.2Semi standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #4C[Si](C)(C)NCC(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2141.8Standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #5C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2270.8Semi standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #5C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2141.7Standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #6C[Si](C)(C)NCC(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2111.7Semi standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #6C[Si](C)(C)NCC(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2086.9Standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #7C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCC(=O)O)C(=O)O2232.0Semi standard non polar33892256
Glycyl-Glutamate,3TMS,isomer #7C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCC(=O)O)C(=O)O2197.5Standard non polar33892256
Glycyl-Glutamate,4TMS,isomer #1C[Si](C)(C)OC(=O)CCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2269.4Semi standard non polar33892256
Glycyl-Glutamate,4TMS,isomer #1C[Si](C)(C)OC(=O)CCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2175.2Standard non polar33892256
Glycyl-Glutamate,4TMS,isomer #2C[Si](C)(C)NCC(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2106.0Semi standard non polar33892256
Glycyl-Glutamate,4TMS,isomer #2C[Si](C)(C)NCC(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2122.3Standard non polar33892256
Glycyl-Glutamate,4TMS,isomer #3C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2254.3Semi standard non polar33892256
Glycyl-Glutamate,4TMS,isomer #3C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2255.5Standard non polar33892256
Glycyl-Glutamate,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2270.9Semi standard non polar33892256
Glycyl-Glutamate,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2210.4Standard non polar33892256
Glycyl-Glutamate,5TMS,isomer #1C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2271.7Semi standard non polar33892256
Glycyl-Glutamate,5TMS,isomer #1C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2242.5Standard non polar33892256
Glycyl-Glutamate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)CN)C(=O)O2250.1Semi standard non polar33892256
Glycyl-Glutamate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)CN2235.3Semi standard non polar33892256
Glycyl-Glutamate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)O)C(=O)O2269.2Semi standard non polar33892256
Glycyl-Glutamate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CCC(=O)O)C(=O)O2248.4Semi standard non polar33892256
Glycyl-Glutamate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C2482.4Semi standard non polar33892256
Glycyl-Glutamate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2545.3Semi standard non polar33892256
Glycyl-Glutamate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C2495.1Semi standard non polar33892256
Glycyl-Glutamate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2539.8Semi standard non polar33892256
Glycyl-Glutamate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C2483.9Semi standard non polar33892256
Glycyl-Glutamate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2638.2Semi standard non polar33892256
Glycyl-Glutamate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2554.4Semi standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2732.7Semi standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2613.9Standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C2675.8Semi standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C2569.4Standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2914.5Semi standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2712.5Standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2787.1Semi standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2652.6Standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2907.8Semi standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2663.4Standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2770.5Semi standard non polar33892256
Glycyl-Glutamate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2614.5Standard non polar33892256
Glycyl-Glutamate,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(CCC(=O)O)C(=O)O2883.5Semi standard non polar33892256
Glycyl-Glutamate,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(CCC(=O)O)C(=O)O2690.1Standard non polar33892256
Glycyl-Glutamate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3117.2Semi standard non polar33892256
Glycyl-Glutamate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2887.4Standard non polar33892256
Glycyl-Glutamate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2953.4Semi standard non polar33892256
Glycyl-Glutamate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2828.2Standard non polar33892256
Glycyl-Glutamate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(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)C3119.2Semi standard non polar33892256
Glycyl-Glutamate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(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)C2910.8Standard non polar33892256
Glycyl-Glutamate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=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)C3119.1Semi standard non polar33892256
Glycyl-Glutamate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=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)C2881.9Standard non polar33892256
Glycyl-Glutamate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O[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)C3310.3Semi standard non polar33892256
Glycyl-Glutamate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O[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)C3080.9Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a59-9700000000-5216c66b3449bcbc75572021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_2_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Glutamate GC-MS (TBDMS_2_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 10V, Positive-QTOFsplash10-052r-3910000000-be4d9cb3d8b3c035f1b72019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 20V, Positive-QTOFsplash10-053r-9800000000-a5c28d4c72e0d015b33c2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 40V, Positive-QTOFsplash10-0kai-9400000000-87a5143f7dc5d60b3c192019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 10V, Negative-QTOFsplash10-0udi-0980000000-ec1f16fcdb2c867826c32019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 20V, Negative-QTOFsplash10-0pbi-1910000000-93a4633867fb34a5afda2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 40V, Negative-QTOFsplash10-0kfx-9500000000-0c56745580ac0372e7a72019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 10V, Positive-QTOFsplash10-0a4j-0960000000-d934a8b1d08cce3aac4c2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 20V, Positive-QTOFsplash10-0f89-0900000000-a492bd3aa9f7d9bc0dee2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 40V, Positive-QTOFsplash10-0zg0-9300000000-9f09f804c3e712ca5c732021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 10V, Negative-QTOFsplash10-004i-0900000000-e33ce5021c0438348de52021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 20V, Negative-QTOFsplash10-0ufr-0900000000-c296afecacdaaaf0d9c62021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Glutamate 40V, Negative-QTOFsplash10-0k96-9400000000-fbbccc1df4b2d983114f2021-10-11Wishart 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 IDFDB111879
KNApSAcK IDNot Available
Chemspider ID270614
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound306108
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. Guo H, Yang J, Gallazzi F, Prossnitz ER, Sklar LA, Miao Y: Effect of DOTA position on melanoma targeting and pharmacokinetic properties of 111In-labeled lactam bridge-cyclized alpha-melanocyte stimulating hormone peptide. Bioconjug Chem. 2009 Nov;20(11):2162-8. doi: 10.1021/bc9003475. [PubMed:19817405 ]
  2. 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 ]
  3. Miao Y, Gallazzi F, Guo H, Quinn TP: 111In-labeled lactam bridge-cyclized alpha-melanocyte stimulating hormone peptide analogues for melanoma imaging. Bioconjug Chem. 2008 Feb;19(2):539-47. doi: 10.1021/bc700317w. Epub 2008 Jan 16. [PubMed:18197608 ]
  4. Guo H, Yang J, Shenoy N, Miao Y: Gallium-67-labeled lactam bridge-cyclized alpha-melanocyte stimulating hormone peptide for primary and metastatic melanoma imaging. Bioconjug Chem. 2009 Dec;20(12):2356-63. doi: 10.1021/bc900428x. [PubMed:19919057 ]