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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:42 UTC

Update Date

2021-09-14 15:46:59 UTC

HMDB ID

HMDB0028839

Secondary Accession Numbers

HMDB28839

Metabolite Identification

Common Name

Glycyl-Glutamine

Description

Glycyl-Glutamine is a dipeptide composed of glycine and glutamine. 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

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

  Mrv1652304062013422D          

 14 13  0  0  0  0            999 V2000
    5.1414    2.1434    0.0000 N   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
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    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 N   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  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028839

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)

> <INCHI_KEY>
PNMUAGGSDZXTHX-UHFFFAOYSA-N

> <FORMULA>
C7H13N3O4

> <MOLECULAR_WEIGHT>
203.1958

> <EXACT_MASS>
203.090605919

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
19.169185787768516

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-aminoacetamido)-4-carbamoylbutanoic acid

> <ALOGPS_LOGP>
-3.35

> <JCHEM_LOGP>
-5.108983892176

> <ALOGPS_LOGS>
-1.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.52615345003268

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4827768867966493

> <JCHEM_PKA_STRONGEST_BASIC>
8.139541739275442

> <JCHEM_POLAR_SURFACE_AREA>
135.51000000000002

> <JCHEM_REFRACTIVITY>
45.91340000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.74e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2-aminoacetamido)-4-carbamoylbutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

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       9.597   4.001   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.264   6.311   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       5.596   4.771   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  N   UNK     0      16.266   4.771   0.000  0.00  0.00           N+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    6                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4                                                            
CONECT    6    1    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

COMPND    HMDB0252880
HETATM    1  N1  UNL     1       3.384   0.880   0.058  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.681   1.054  -1.203  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.397   0.316  -1.216  1.00  0.00           C  
HETATM    4  O1  UNL     1       0.699   0.392  -2.255  1.00  0.00           O  
HETATM    5  N2  UNL     1       0.924  -0.457  -0.133  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.328  -1.170  -0.159  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.197  -0.862   1.037  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.564   0.574   1.167  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.313   1.127   0.038  1.00  0.00           C  
HETATM   10  N3  UNL     1      -2.691   2.494   0.091  1.00  0.00           N  
HETATM   11  O2  UNL     1      -2.647   0.465  -0.985  1.00  0.00           O  
HETATM   12  C7  UNL     1       0.005  -2.620  -0.075  1.00  0.00           C  
HETATM   13  O3  UNL     1       1.169  -3.072   0.001  1.00  0.00           O  
HETATM   14  O4  UNL     1      -1.048  -3.520  -0.083  1.00  0.00           O  
HETATM   15  H1  UNL     1       3.968   0.020  -0.045  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.034   1.673   0.256  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.299   0.700  -2.052  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.475   2.135  -1.316  1.00  0.00           H  
HETATM   19  H5  UNL     1       1.505  -0.515   0.722  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.873  -1.045  -1.116  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.715  -1.208   1.968  1.00  0.00           H  
HETATM   22  H8  UNL     1      -2.138  -1.446   0.904  1.00  0.00           H  
HETATM   23  H9  UNL     1      -0.646   1.175   1.399  1.00  0.00           H  
HETATM   24  H10 UNL     1      -2.206   0.670   2.074  1.00  0.00           H  
HETATM   25  H11 UNL     1      -3.596   2.841   0.460  1.00  0.00           H  
HETATM   26  H12 UNL     1      -2.015   3.200  -0.265  1.00  0.00           H  
HETATM   27  H13 UNL     1      -1.562  -3.801   0.726  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   11   11
CONECT   10   25   26
CONECT   12   13   13   14
CONECT   14   27
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
g-Q Dipeptide	HMDB
Gly-GLN	HMDB
Glycine glutamine dipeptide	HMDB
Glycine-glutamine dipeptide	HMDB
Glycylglutamine	HMDB
GQ Dipeptide	HMDB
L-Glycyl-L-glutamine	HMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoate	Generator, HMDB

Chemical Formula

C₇H₁₃N₃O₄

Average Molecular Weight

203.1958

Monoisotopic Molecular Weight

203.090605919

IUPAC Name

2-(2-aminoacetamido)-4-carbamoylbutanoic acid

Traditional Name

2-(2-aminoacetamido)-4-carbamoylbutanoic acid

CAS Registry Number

Not Available

SMILES

NCC(=O)NC(CCC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)

InChI Key

PNMUAGGSDZXTHX-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.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Fatty amide
Fatty acyl
Fatty acid
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Primary amine
Organic nitrogen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0028839)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

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	-5.11	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	17.4 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-5.1	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	3.48	ChemAxon
pKa (Strongest Basic)	8.14	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	135.51 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	45.91 m³·mol⁻¹	ChemAxon
Polarizability	19.17 Å³	ChemAxon
Number of Rings	0	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
DarkChem	[M+H]+	146.867	31661259
DarkChem	[M-H]-	142.04	31661259
DeepCCS	[M+H]+	140.546	30932474
DeepCCS	[M-H]-	136.719	30932474
DeepCCS	[M-2H]-	174.095	30932474
DeepCCS	[M+Na]+	149.634	30932474
AllCCS	[M+H]+	143.4	32859911
AllCCS	[M+H-H2O]+	139.8	32859911
AllCCS	[M+NH4]+	146.8	32859911
AllCCS	[M+Na]+	147.7	32859911
AllCCS	[M-H]-	140.1	32859911
AllCCS	[M+Na-2H]-	141.0	32859911
AllCCS	[M+HCOO]-	142.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-Glutamine	NCC(=O)NC(CCC(N)=O)C(O)=O	2702.7	Standard polar	33892256
Glycyl-Glutamine	NCC(=O)NC(CCC(N)=O)C(O)=O	1848.2	Standard non polar	33892256
Glycyl-Glutamine	NCC(=O)NC(CCC(N)=O)C(O)=O	2334.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-Glutamine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)CN	2079.3	Semi standard non polar	33892256
Glycyl-Glutamine,1TMS,isomer #2	C[Si](C)(C)NCC(=O)NC(CCC(N)=O)C(=O)O	2139.8	Semi standard non polar	33892256
Glycyl-Glutamine,1TMS,isomer #3	C[Si](C)(C)NC(=O)CCC(NC(=O)CN)C(=O)O	2152.3	Semi standard non polar	33892256
Glycyl-Glutamine,1TMS,isomer #4	C[Si](C)(C)N(C(=O)CN)C(CCC(N)=O)C(=O)O	2092.7	Semi standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CCC(NC(=O)CN)C(=O)O[Si](C)(C)C	2187.6	Semi standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CCC(NC(=O)CN)C(=O)O[Si](C)(C)C	2045.6	Standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #2	C[Si](C)(C)NCC(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C	2197.3	Semi standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #2	C[Si](C)(C)NCC(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C	2051.8	Standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)CN)[Si](C)(C)C	2086.1	Semi standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)CN)[Si](C)(C)C	2030.1	Standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #4	C[Si](C)(C)NCC(=O)NC(CCC(=O)N[Si](C)(C)C)C(=O)O	2260.8	Semi standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #4	C[Si](C)(C)NCC(=O)NC(CCC(=O)N[Si](C)(C)C)C(=O)O	2177.0	Standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #5	C[Si](C)(C)N(CC(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C	2348.1	Semi standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #5	C[Si](C)(C)N(CC(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C	2219.5	Standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #6	C[Si](C)(C)NCC(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C	2194.0	Semi standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #6	C[Si](C)(C)NCC(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C	2119.2	Standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #7	C[Si](C)(C)N(C(=O)CCC(NC(=O)CN)C(=O)O)[Si](C)(C)C	2299.3	Semi standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #7	C[Si](C)(C)N(C(=O)CCC(NC(=O)CN)C(=O)O)[Si](C)(C)C	2120.3	Standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #8	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C	2180.7	Semi standard non polar	33892256
Glycyl-Glutamine,2TMS,isomer #8	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C	2169.1	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2277.0	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2170.7	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #10	C[Si](C)(C)N(C(=O)CN)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2259.2	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #10	C[Si](C)(C)N(C(=O)CN)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2250.8	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN	2273.1	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN	2134.5	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2156.3	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2167.4	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2385.9	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2231.1	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2177.3	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2141.9	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #6	C[Si](C)(C)NC(=O)CCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2444.0	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #6	C[Si](C)(C)NC(=O)CCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2345.6	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2263.8	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2287.0	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #8	C[Si](C)(C)NCC(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2367.9	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #8	C[Si](C)(C)NCC(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2235.1	Standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #9	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCC(N)=O)C(=O)O	2323.3	Semi standard non polar	33892256
Glycyl-Glutamine,3TMS,isomer #9	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCC(N)=O)C(=O)O	2270.9	Standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2434.1	Semi standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2323.9	Standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2235.8	Semi standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2266.6	Standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2341.1	Semi standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2246.6	Standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2232.7	Semi standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2257.1	Standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2354.0	Semi standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2281.1	Standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #6	C[Si](C)(C)N(CC(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2532.3	Semi standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #6	C[Si](C)(C)N(CC(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2386.2	Standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2408.9	Semi standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2399.2	Standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #8	C[Si](C)(C)NCC(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2348.8	Semi standard non polar	33892256
Glycyl-Glutamine,4TMS,isomer #8	C[Si](C)(C)NCC(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2345.9	Standard non polar	33892256
Glycyl-Glutamine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2539.4	Semi standard non polar	33892256
Glycyl-Glutamine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2394.2	Standard non polar	33892256
Glycyl-Glutamine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2402.5	Semi standard non polar	33892256
Glycyl-Glutamine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2380.2	Standard non polar	33892256
Glycyl-Glutamine,5TMS,isomer #3	C[Si](C)(C)NCC(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2324.4	Semi standard non polar	33892256
Glycyl-Glutamine,5TMS,isomer #3	C[Si](C)(C)NCC(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2349.3	Standard non polar	33892256
Glycyl-Glutamine,5TMS,isomer #4	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2511.0	Semi standard non polar	33892256
Glycyl-Glutamine,5TMS,isomer #4	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2463.4	Standard non polar	33892256
Glycyl-Glutamine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2539.8	Semi standard non polar	33892256
Glycyl-Glutamine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2470.3	Standard non polar	33892256
Glycyl-Glutamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)CN	2341.0	Semi standard non polar	33892256
Glycyl-Glutamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(N)=O)C(=O)O	2391.1	Semi standard non polar	33892256
Glycyl-Glutamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)CN)C(=O)O	2416.9	Semi standard non polar	33892256
Glycyl-Glutamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CCC(N)=O)C(=O)O	2345.3	Semi standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C	2678.8	Semi standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C	2424.0	Standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2652.8	Semi standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2472.2	Standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2579.8	Semi standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2417.3	Standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2739.0	Semi standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2545.1	Standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2784.8	Semi standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2558.6	Standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2666.0	Semi standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2513.1	Standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)CCC(NC(=O)CN)C(=O)O)[Si](C)(C)C(C)(C)C	2767.0	Semi standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)CCC(NC(=O)CN)C(=O)O)[Si](C)(C)C(C)(C)C	2498.7	Standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2671.5	Semi standard non polar	33892256
Glycyl-Glutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2487.4	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2933.9	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2722.1	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2925.8	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2727.8	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN	2953.2	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN	2705.6	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2849.5	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2679.9	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3023.8	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2756.5	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2865.1	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2712.7	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3082.3	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2825.2	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2956.7	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2762.5	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3033.6	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2785.9	Standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #9	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(CCC(N)=O)C(=O)O	2982.6	Semi standard non polar	33892256
Glycyl-Glutamine,3TBDMS,isomer #9	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(CCC(N)=O)C(=O)O	2770.1	Standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=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)C	3290.6	Semi standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=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)C	2993.4	Standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3112.8	Semi standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2930.8	Standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3211.5	Semi standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2957.5	Standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	3117.4	Semi standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2937.1	Standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=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	3210.2	Semi standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=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	2979.6	Standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3358.0	Semi standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3056.9	Standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=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)C	3263.5	Semi standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=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)C	3009.6	Standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3217.9	Semi standard non polar	33892256
Glycyl-Glutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2995.0	Standard non polar	33892256
Glycyl-Glutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3553.2	Semi standard non polar	33892256
Glycyl-Glutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3214.5	Standard non polar	33892256
Glycyl-Glutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=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)C	3426.9	Semi standard non polar	33892256
Glycyl-Glutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=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)C	3179.4	Standard non polar	33892256
Glycyl-Glutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3389.8	Semi standard non polar	33892256
Glycyl-Glutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3156.4	Standard non polar	33892256
Glycyl-Glutamine,5TBDMS,isomer #4	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(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3545.3	Semi standard non polar	33892256
Glycyl-Glutamine,5TBDMS,isomer #4	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(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3241.3	Standard non polar	33892256
Glycyl-Glutamine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[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	3712.4	Semi standard non polar	33892256
Glycyl-Glutamine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[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	3410.8	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (Non-derivatized) - 70eV, Positive	splash10-053u-9600000000-9b08b89fa5c5d153d53e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (1 TMS) - 70eV, Positive	splash10-0a4i-9530000000-dbfbe7e01e78784cd0d5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Glutamine GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 10V, Positive-QTOF	splash10-052r-4920000000-35ae22c3fc5631398311	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 20V, Positive-QTOF	splash10-053r-8900000000-77b93f2533e6cc561faf	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 40V, Positive-QTOF	splash10-001i-9300000000-23c5201ba6ccfebaec85	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 10V, Negative-QTOF	splash10-0udi-0890000000-e78d173c09684ce52baf	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 20V, Negative-QTOF	splash10-0f6x-4910000000-7b6de1a2d1993b8fa9ab	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 40V, Negative-QTOF	splash10-0006-9100000000-a766a60e7bbac1e399aa	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 10V, Positive-QTOF	splash10-0uea-0950000000-0f366bd589543735be4a	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 20V, Positive-QTOF	splash10-0f89-0900000000-bd4399c5f99f9666f059	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 40V, Positive-QTOF	splash10-0uea-9300000000-d5699e1ac43d7e6b2816	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 10V, Negative-QTOF	splash10-004i-0900000000-f805b65af9d9b6e45038	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 20V, Negative-QTOF	splash10-004j-1900000000-504cc1951de48f260283	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Glutamine 40V, Negative-QTOF	splash10-0006-9300000000-aed9a95a305bd369af53	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

FDB111878

KNApSAcK ID

Not Available

Chemspider ID

519616

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

597739

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

Kee AJ, Smith RC, Gross AS, Madsen DC, Rowe B: The effect of dipeptide structure on dipeptide and amino acid clearance in rats. Metabolism. 1994 Nov;43(11):1373-8. [PubMed:7968592 ]
Leyton P, Saladino R, Crestini C, Campos-Vallette M, Paipa C, Berrios A, Fuentes S, Zarate RA: Influence of TiO2 on prebiotic thermal synthesis of the Gly-Gln polymer. Amino Acids. 2012 Jun;42(6):2079-88. doi: 10.1007/s00726-011-0939-6. Epub 2011 May 24. [PubMed:21607746 ]
Kohler H, Hartig-Knecht H, Ruggeberg J, Adam R, Schroten H: Lymphocyte proliferation is possible with low concentrations of glycyl-glutamine. Eur J Nutr. 2000 Jun;39(3):103-5. [PubMed:10918991 ]

Showing metabocard for Glycyl-Glutamine (HMDB0028839)

MOL for HMDB0028839 (Glycyl-Glutamine)

3D MOL for HMDB0028839 (Glycyl-Glutamine)

3D SDF for HMDB0028839 (Glycyl-Glutamine)

3D-SDF for HMDB0028839 (Glycyl-Glutamine)

PDB for HMDB0028839 (Glycyl-Glutamine)

3D PDB for HMDB0028839 (Glycyl-Glutamine)

SMILES for HMDB0028839 (Glycyl-Glutamine)

INCHI for HMDB0028839 (Glycyl-Glutamine)

Structure for HMDB0028839 (Glycyl-Glutamine)

3D Structure for HMDB0028839 (Glycyl-Glutamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra