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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 10:55:40 UTC

Update Date

2021-09-26 23:05:42 UTC

HMDB ID

HMDB0252836

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Glycyl-tyrosyl-glycine

Description

Glycyl-tyrosyl-glycine, also known as gly-tyr-gly, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Glycyl-tyrosyl-glycine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glycyl-tyrosyl-glycine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glycyl-tyrosyl-glycine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0252836
     RDKit          3D
Glycyl-tyrosyl-glycine
 38 38  0  0  0  0  0  0  0  0999 V2000
   -2.9587   -3.5715   -0.3687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530   -2.5799    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290   -1.5523   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510   -1.6626   -1.4914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154   -0.4371    0.3830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    0.5786   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9851    0.6835    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322   -0.5926    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096   -0.8869   -1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2192   -2.0666   -1.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871   -3.0088   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9067   -4.2075   -0.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175   -2.7223    1.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082   -1.5425    1.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510    1.9183   -0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528    1.9964    0.5671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415    3.0777   -0.8335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429    4.3820   -0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1052    4.7736    0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990    4.0004    1.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173    5.9816    1.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9698   -3.7451   -0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022   -3.4588   -1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989   -2.1188    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -2.9992    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -0.3716    1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4388    0.3122   -1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.0715    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279    1.4817   -0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281   -0.1390   -1.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229   -2.2939   -1.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477   -4.3192    0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824   -3.4615    1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -1.3434    2.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884    2.9993   -1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    5.1730   -1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910    4.4140   -1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5715    6.2373    0.9582 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  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  6 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 14  8  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  5 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  9 30  1  0
 10 31  1  0
 12 32  1  0
 13 33  1  0
 14 34  1  0
 17 35  1  0
 18 36  1  0
 18 37  1  0
 21 38  1  0
M  END


  Mrv1652309112112552D          

 21 21  0  0  0  0            999 V2000
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252836

> <DATABASE_NAME>
hmdb

> <SMILES>
NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H17N3O5/c14-6-11(18)16-10(13(21)15-7-12(19)20)5-8-1-3-9(17)4-2-8/h1-4,10,17H,5-7,14H2,(H,15,21)(H,16,18)(H,19,20)

> <INCHI_KEY>
HQSKKSLNLSTONK-UHFFFAOYSA-N

> <FORMULA>
C13H17N3O5

> <MOLECULAR_WEIGHT>
295.295

> <EXACT_MASS>
295.116820659

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
28.711125929886755

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetic acid

> <ALOGPS_LOGP>
-2.20

> <JCHEM_LOGP>
-3.702880455953982

> <ALOGPS_LOGS>
-2.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.512383635966826

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4584070036596906

> <JCHEM_PKA_STRONGEST_BASIC>
7.829316976963614

> <JCHEM_POLAR_SURFACE_AREA>
141.75

> <JCHEM_REFRACTIVITY>
72.7042

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.87e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0252836
     RDKit          3D
Glycyl-tyrosyl-glycine
 38 38  0  0  0  0  0  0  0  0999 V2000
   -2.9587   -3.5715   -0.3687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530   -2.5799    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290   -1.5523   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510   -1.6626   -1.4914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154   -0.4371    0.3830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    0.5786   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9851    0.6835    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322   -0.5926    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096   -0.8869   -1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2192   -2.0666   -1.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871   -3.0088   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9067   -4.2075   -0.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175   -2.7223    1.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082   -1.5425    1.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510    1.9183   -0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528    1.9964    0.5671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415    3.0777   -0.8335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429    4.3820   -0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1052    4.7736    0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990    4.0004    1.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173    5.9816    1.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9698   -3.7451   -0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022   -3.4588   -1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989   -2.1188    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -2.9992    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -0.3716    1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4388    0.3122   -1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.0715    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279    1.4817   -0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281   -0.1390   -1.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229   -2.2939   -1.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477   -4.3192    0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824   -3.4615    1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -1.3434    2.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884    2.9993   -1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    5.1730   -1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910    4.4140   -1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5715    6.2373    0.9582 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  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  6 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 14  8  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  5 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  9 30  1  0
 10 31  1  0
 12 32  1  0
 13 33  1  0
 14 34  1  0
 17 35  1  0
 18 36  1  0
 18 37  1  0
 21 38  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.670   6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.004   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.004   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.670   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      10.669   0.000   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      13.337   1.540   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      13.337   0.000   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.003  -0.770   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      14.670  -2.310   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0      17.338   6.930   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   16                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    8   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19                                                            
CONECT   21    3                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

COMPND    HMDB0252836
HETATM    1  N1  UNL     1      -2.959  -3.571  -0.369  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.453  -2.580   0.530  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.729  -1.552  -0.245  1.00  0.00           C  
HETATM    4  O1  UNL     1      -1.651  -1.663  -1.491  1.00  0.00           O  
HETATM    5  N2  UNL     1      -1.115  -0.437   0.383  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.399   0.579  -0.392  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.985   0.683   0.181  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.732  -0.593   0.109  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.510  -0.887  -1.006  1.00  0.00           C  
HETATM   10  C7  UNL     1       3.219  -2.067  -1.106  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.187  -3.009  -0.098  1.00  0.00           C  
HETATM   12  O2  UNL     1       3.907  -4.207  -0.197  1.00  0.00           O  
HETATM   13  C9  UNL     1       2.417  -2.722   1.011  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.708  -1.542   1.110  1.00  0.00           C  
HETATM   15  C11 UNL     1      -1.051   1.918  -0.186  1.00  0.00           C  
HETATM   16  O3  UNL     1      -2.053   1.996   0.567  1.00  0.00           O  
HETATM   17  N3  UNL     1      -0.542   3.078  -0.833  1.00  0.00           N  
HETATM   18  C12 UNL     1      -1.143   4.382  -0.659  1.00  0.00           C  
HETATM   19  C13 UNL     1      -1.105   4.774   0.781  1.00  0.00           C  
HETATM   20  O4  UNL     1      -0.599   4.000   1.629  1.00  0.00           O  
HETATM   21  O5  UNL     1      -1.617   5.982   1.229  1.00  0.00           O  
HETATM   22  H1  UNL     1      -3.970  -3.745  -0.311  1.00  0.00           H  
HETATM   23  H2  UNL     1      -2.602  -3.459  -1.343  1.00  0.00           H  
HETATM   24  H3  UNL     1      -3.299  -2.119   1.122  1.00  0.00           H  
HETATM   25  H4  UNL     1      -1.776  -2.999   1.308  1.00  0.00           H  
HETATM   26  H5  UNL     1      -1.197  -0.372   1.423  1.00  0.00           H  
HETATM   27  H6  UNL     1      -0.439   0.312  -1.448  1.00  0.00           H  
HETATM   28  H7  UNL     1       0.887   1.071   1.218  1.00  0.00           H  
HETATM   29  H8  UNL     1       1.528   1.482  -0.389  1.00  0.00           H  
HETATM   30  H9  UNL     1       2.528  -0.139  -1.793  1.00  0.00           H  
HETATM   31  H10 UNL     1       3.823  -2.294  -1.973  1.00  0.00           H  
HETATM   32  H11 UNL     1       4.848  -4.319   0.124  1.00  0.00           H  
HETATM   33  H12 UNL     1       2.382  -3.461   1.819  1.00  0.00           H  
HETATM   34  H13 UNL     1       1.107  -1.343   2.001  1.00  0.00           H  
HETATM   35  H14 UNL     1       0.288   2.999  -1.454  1.00  0.00           H  
HETATM   36  H15 UNL     1      -0.597   5.173  -1.206  1.00  0.00           H  
HETATM   37  H16 UNL     1      -2.191   4.414  -1.004  1.00  0.00           H  
HETATM   38  H17 UNL     1      -2.572   6.237   0.958  1.00  0.00           H  
CONECT    1    2   22   23
CONECT    2    3   24   25
CONECT    3    4    4    5
CONECT    5    6   26
CONECT    6    7   15   27
CONECT    7    8   28   29
CONECT    8    9    9   14
CONECT    9   10   30
CONECT   10   11   11   31
CONECT   11   12   13
CONECT   12   32
CONECT   13   14   14   33
CONECT   14   34
CONECT   15   16   16   17
CONECT   17   18   35
CONECT   18   19   36   37
CONECT   19   20   20   21
CONECT   21   38
END

HMDB0252836
     RDKit          3D
Glycyl-tyrosyl-glycine
 38 38  0  0  0  0  0  0  0  0999 V2000
   -2.9587   -3.5715   -0.3687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530   -2.5799    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290   -1.5523   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510   -1.6626   -1.4914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154   -0.4371    0.3830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    0.5786   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9851    0.6835    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322   -0.5926    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096   -0.8869   -1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2192   -2.0666   -1.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871   -3.0088   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9067   -4.2075   -0.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175   -2.7223    1.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082   -1.5425    1.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510    1.9183   -0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528    1.9964    0.5671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415    3.0777   -0.8335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429    4.3820   -0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1052    4.7736    0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990    4.0004    1.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173    5.9816    1.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9698   -3.7451   -0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022   -3.4588   -1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989   -2.1188    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -2.9992    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -0.3716    1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4388    0.3122   -1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.0715    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279    1.4817   -0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281   -0.1390   -1.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229   -2.2939   -1.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477   -4.3192    0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824   -3.4615    1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -1.3434    2.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884    2.9993   -1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    5.1730   -1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910    4.4140   -1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5715    6.2373    0.9582 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  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  6 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 14  8  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  5 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  9 30  1  0
 10 31  1  0
 12 32  1  0
 13 33  1  0
 14 34  1  0
 17 35  1  0
 18 36  1  0
 18 37  1  0
 21 38  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Gly-tyr-gly	HMDB

Chemical Formula

C₁₃H₁₇N₃O₅

Average Molecular Weight

295.295

Monoisotopic Molecular Weight

295.116820659

IUPAC Name

2-[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetic acid

Traditional Name

[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetic acid

CAS Registry Number

Not Available

SMILES

NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(O)=O

InChI Identifier

InChI=1S/C13H17N3O5/c14-6-11(18)16-10(13(21)15-7-12(19)20)5-8-1-3-9(17)4-2-8/h1-4,10,17H,5-7,14H2,(H,15,21)(H,16,18)(H,19,20)

InChI Key

HQSKKSLNLSTONK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Tyrosine or derivatives
Phenylalanine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Amphetamine or derivatives
Alpha-amino acid or derivatives
N-substituted-alpha-amino acid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Fatty acyl
Benzenoid
Fatty amide
Monocyclic benzene moiety
Amino acid
Secondary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.2	ALOGPS
logP	-3.7	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	3.46	ChemAxon
pKa (Strongest Basic)	7.83	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	141.75 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	72.7 m³·mol⁻¹	ChemAxon
Polarizability	28.71 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	166.643	30932474
DeepCCS	[M-H]-	164.285	30932474
DeepCCS	[M-2H]-	197.172	30932474
DeepCCS	[M+Na]+	172.737	30932474

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	9.4686 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	8.86 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	670.3 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	210.3 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	93.6 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	157.6 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	66.0 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	257.0 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	288.3 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	820.4 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	606.9 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	187.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	837.5 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	183.6 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	205.1 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	469.0 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	444.7 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	208.3 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-tyrosyl-glycine	NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(O)=O	3946.9	Standard polar	33892256
Glycyl-tyrosyl-glycine	NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(O)=O	2293.5	Standard non polar	33892256
Glycyl-tyrosyl-glycine	NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(O)=O	3170.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-tyrosyl-glycine,3TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C	2961.9	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C	2758.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C	3686.9	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #10	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2845.5	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #10	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2805.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #10	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3821.0	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2747.8	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2776.3	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4101.7	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #12	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O	3045.6	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #12	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O	2967.1	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #12	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O	3929.2	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #13	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	3063.9	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #13	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2994.9	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #13	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	3862.6	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #14	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2841.4	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #14	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2907.8	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #14	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	3799.4	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN)[Si](C)(C)C	2885.4	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN)[Si](C)(C)C	2655.0	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN)[Si](C)(C)C	4099.3	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C	2837.9	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C	2711.2	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C	3885.7	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C=C1	3087.0	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C=C1	2878.6	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C=C1	3762.7	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)O)[Si](C)(C)C	2927.9	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)O)[Si](C)(C)C	2790.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)O)[Si](C)(C)C	3705.2	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #6	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C	2954.5	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #6	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C	2772.0	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #6	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C	3658.9	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C=C1	2834.2	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C=C1	2747.1	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C=C1	3857.3	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #8	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	3006.6	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #8	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2952.0	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #8	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	3911.5	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #9	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2821.8	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #9	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2858.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TMS,isomer #9	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3805.5	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	3066.6	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2891.8	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	3472.4	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #10	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2797.8	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #10	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2891.0	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #10	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3461.9	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #11	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3005.0	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #11	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3031.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #11	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3568.3	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2880.4	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2817.3	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3396.4	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2887.4	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2768.4	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3399.6	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2822.9	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2745.8	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3695.5	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	3082.5	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2911.5	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	3521.7	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C=C1	3102.7	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C=C1	2920.5	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C=C1	3470.3	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2905.4	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2863.5	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	3428.1	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2976.1	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2954.0	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3539.6	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2971.6	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2973.3	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3547.5	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3036.3	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2916.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3227.5	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3058.1	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2927.0	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3236.1	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #3	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2865.5	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #3	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2869.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #3	C[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3167.2	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	3084.9	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2981.9	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	3275.0	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2985.3	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3011.0	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3278.6	Standard polar	33892256
Glycyl-tyrosyl-glycine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3085.9	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2987.6	Standard non polar	33892256
Glycyl-tyrosyl-glycine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3069.3	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3686.3	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3339.4	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3799.6	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3579.9	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3369.3	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3818.3	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3495.7	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3315.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4044.2	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O	3721.2	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O	3449.6	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O	3904.7	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3730.3	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3450.8	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3867.1	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3570.7	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3412.1	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3839.6	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	3660.4	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	3239.1	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	4074.7	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C	3613.5	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C	3250.1	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C	3947.3	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C=C1	3817.1	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C=C1	3396.3	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C=C1	3846.3	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3708.6	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3340.5	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3820.7	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3713.0	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3324.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3799.5	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C=C1	3600.0	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C=C1	3270.2	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C=C1	3956.0	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3707.2	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3451.5	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3869.9	Standard polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3576.8	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3392.6	Standard non polar	33892256
Glycyl-tyrosyl-glycine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3808.5	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4004.6	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3541.9	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3662.0	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3709.6	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3555.8	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3670.9	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3893.3	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3633.3	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3739.4	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3865.5	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3483.8	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3629.8	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3848.8	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3476.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3638.1	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3795.8	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3417.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3838.6	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=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)C)C=C1	4016.8	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=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)C)C=C1	3556.5	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=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)C)C=C1	3696.4	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4020.7	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C=C1	3555.6	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C=C1	3667.8	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3845.0	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3519.4	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3667.1	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3895.6	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3596.1	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3684.9	Standard polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3886.7	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3597.5	Standard non polar	33892256
Glycyl-tyrosyl-glycine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3690.5	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4208.2	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3693.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3549.3	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4200.2	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3681.5	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3554.1	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4023.5	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3654.8	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3548.0	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=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)C)C=C1	4190.1	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=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)C)C=C1	3737.4	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=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)C)C=C1	3594.2	Standard polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4067.0	Semi standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3772.7	Standard non polar	33892256
Glycyl-tyrosyl-glycine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3594.4	Standard polar	33892256

Spectra

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

90439

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

100083

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Glycyl-tyrosyl-glycine (HMDB0252836)

MOL for HMDB0252836 (Glycyl-tyrosyl-glycine)

3D MOL for HMDB0252836 (Glycyl-tyrosyl-glycine)

3D SDF for HMDB0252836 (Glycyl-tyrosyl-glycine)

3D-SDF for HMDB0252836 (Glycyl-tyrosyl-glycine)

PDB for HMDB0252836 (Glycyl-tyrosyl-glycine)

3D PDB for HMDB0252836 (Glycyl-tyrosyl-glycine)

SMILES for HMDB0252836 (Glycyl-tyrosyl-glycine)

INCHI for HMDB0252836 (Glycyl-tyrosyl-glycine)

Structure for HMDB0252836 (Glycyl-tyrosyl-glycine)

3D Structure for HMDB0252836 (Glycyl-tyrosyl-glycine)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized