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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:41 UTC

Update Date

2023-02-21 17:18:35 UTC

HMDB ID

HMDB0028836

Secondary Accession Numbers

HMDB28836

Metabolite Identification

Common Name

Glycyl-Asparagine

Description

Glycyl-Asparagine is a dipeptide composed of glycine and asparagine. 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

  Mrv1652304062013412D          

 13 12  0  0  0  0            999 V2000
    3.1895    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.1914    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
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028836

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)

> <INCHI_KEY>
FUESBOMYALLFNI-UHFFFAOYSA-N

> <FORMULA>
C6H11N3O4

> <MOLECULAR_WEIGHT>
189.1692

> <EXACT_MASS>
189.074955855

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
17.111987412399074

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-3.37

> <JCHEM_LOGP>
-5.397791255131356

> <ALOGPS_LOGS>
-0.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.112762246495755

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3732350537395592

> <JCHEM_PKA_STRONGEST_BASIC>
8.139494250866624

> <JCHEM_POLAR_SURFACE_AREA>
135.51000000000002

> <JCHEM_REFRACTIVITY>
41.15840000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.98e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2-aminoacetamido)-3-carbamoylpropanoic 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       5.954   3.437   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       1.953   2.667   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      11.288   3.437   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       9.955   1.127   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.287   1.127   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.621   0.357   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       5.954   0.357   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   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    6   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
g-N Dipeptide	HMDB
Gly-asn	HMDB
Glycine asparagine dipeptide	HMDB
Glycine-asparagine dipeptide	HMDB
Glycylasparagine	HMDB
GN Dipeptide	HMDB
L-Glycyl-L-asparagine	HMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoate	HMDB

Chemical Formula

C₆H₁₁N₃O₄

Average Molecular Weight

189.1692

Monoisotopic Molecular Weight

189.074955855

IUPAC Name

2-(2-aminoacetamido)-3-carbamoylpropanoic acid

Traditional Name

2-(2-aminoacetamido)-3-carbamoylpropanoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)

InChI Key

FUESBOMYALLFNI-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
Asparagine 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: HMDB0028836)

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	-5.4	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	19.8 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-5.4	ChemAxon
logS	-0.98	ALOGPS
pKa (Strongest Acidic)	3.37	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	5	ChemAxon
Refractivity	41.16 m³·mol⁻¹	ChemAxon
Polarizability	17.11 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]+	143.523	31661259
DarkChem	[M-H]-	138.762	31661259
DeepCCS	[M+H]+	135.356	30932474
DeepCCS	[M-H]-	131.529	30932474
DeepCCS	[M-2H]-	169.025	30932474
DeepCCS	[M+Na]+	144.563	30932474
AllCCS	[M+H]+	140.6	32859911
AllCCS	[M+H-H2O]+	136.9	32859911
AllCCS	[M+NH4]+	144.0	32859911
AllCCS	[M+Na]+	145.0	32859911
AllCCS	[M-H]-	135.0	32859911
AllCCS	[M+Na-2H]-	136.2	32859911
AllCCS	[M+HCOO]-	137.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-Asparagine	NCC(=O)NC(CC(N)=O)C(O)=O	2567.9	Standard polar	33892256
Glycyl-Asparagine	NCC(=O)NC(CC(N)=O)C(O)=O	1732.3	Standard non polar	33892256
Glycyl-Asparagine	NCC(=O)NC(CC(N)=O)C(O)=O	2216.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-Asparagine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN	1977.7	Semi standard non polar	33892256
Glycyl-Asparagine,1TMS,isomer #2	C[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O	2026.1	Semi standard non polar	33892256
Glycyl-Asparagine,1TMS,isomer #3	C[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O	2056.9	Semi standard non polar	33892256
Glycyl-Asparagine,1TMS,isomer #4	C[Si](C)(C)N(C(=O)CN)C(CC(N)=O)C(=O)O	2005.3	Semi standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O[Si](C)(C)C	2096.5	Semi standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O[Si](C)(C)C	1958.2	Standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #2	C[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C	2088.4	Semi standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #2	C[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C	1964.4	Standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN)[Si](C)(C)C	2008.8	Semi standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN)[Si](C)(C)C	1946.6	Standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #4	C[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C)C(=O)O	2155.5	Semi standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #4	C[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C)C(=O)O	2089.0	Standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #5	C[Si](C)(C)N(CC(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C	2234.8	Semi standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #5	C[Si](C)(C)N(CC(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C	2106.0	Standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #6	C[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C	2108.0	Semi standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #6	C[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C	2026.2	Standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #7	C[Si](C)(C)N(C(=O)CC(NC(=O)CN)C(=O)O)[Si](C)(C)C	2197.2	Semi standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #7	C[Si](C)(C)N(C(=O)CC(NC(=O)CN)C(=O)O)[Si](C)(C)C	2053.6	Standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #8	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN)[Si](C)(C)C	2084.7	Semi standard non polar	33892256
Glycyl-Asparagine,2TMS,isomer #8	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN)[Si](C)(C)C	2093.7	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2180.5	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2064.6	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #10	C[Si](C)(C)N(C(=O)CN)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2157.6	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #10	C[Si](C)(C)N(C(=O)CN)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2174.4	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN	2173.0	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN	2049.4	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2062.8	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2074.0	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2286.5	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2132.3	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2085.5	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2046.4	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #6	C[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2351.4	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #6	C[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2248.7	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2166.3	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2193.2	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #8	C[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2279.1	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #8	C[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2155.2	Standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #9	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC(N)=O)C(=O)O	2256.0	Semi standard non polar	33892256
Glycyl-Asparagine,3TMS,isomer #9	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC(N)=O)C(=O)O	2164.2	Standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2335.2	Semi standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2210.0	Standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2127.9	Semi standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2158.7	Standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2239.3	Semi standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2154.1	Standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2136.1	Semi standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2174.2	Standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2274.0	Semi standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2179.9	Standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #6	C[Si](C)(C)N(CC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2429.8	Semi standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #6	C[Si](C)(C)N(CC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2307.7	Standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2313.0	Semi standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2304.0	Standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #8	C[Si](C)(C)NCC(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2244.6	Semi standard non polar	33892256
Glycyl-Asparagine,4TMS,isomer #8	C[Si](C)(C)NCC(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2259.7	Standard non polar	33892256
Glycyl-Asparagine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2437.4	Semi standard non polar	33892256
Glycyl-Asparagine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2299.4	Standard non polar	33892256
Glycyl-Asparagine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2306.5	Semi standard non polar	33892256
Glycyl-Asparagine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2269.4	Standard non polar	33892256
Glycyl-Asparagine,5TMS,isomer #3	C[Si](C)(C)NCC(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2232.7	Semi standard non polar	33892256
Glycyl-Asparagine,5TMS,isomer #3	C[Si](C)(C)NCC(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2257.0	Standard non polar	33892256
Glycyl-Asparagine,5TMS,isomer #4	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2408.9	Semi standard non polar	33892256
Glycyl-Asparagine,5TMS,isomer #4	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2379.1	Standard non polar	33892256
Glycyl-Asparagine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=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	2454.1	Semi standard non polar	33892256
Glycyl-Asparagine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=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	2379.4	Standard non polar	33892256
Glycyl-Asparagine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN	2237.2	Semi standard non polar	33892256
Glycyl-Asparagine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O	2281.2	Semi standard non polar	33892256
Glycyl-Asparagine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O	2313.4	Semi standard non polar	33892256
Glycyl-Asparagine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC(N)=O)C(=O)O	2253.9	Semi standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C	2574.4	Semi standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C	2330.4	Standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2548.4	Semi standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2372.6	Standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2497.0	Semi standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2330.8	Standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2644.3	Semi standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2455.7	Standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2673.1	Semi standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2455.5	Standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2578.4	Semi standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2404.4	Standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)CN)C(=O)O)[Si](C)(C)C(C)(C)C	2666.6	Semi standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)CN)C(=O)O)[Si](C)(C)C(C)(C)C	2426.0	Standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2570.2	Semi standard non polar	33892256
Glycyl-Asparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2410.1	Standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2823.3	Semi standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2612.1	Standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2820.9	Semi standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2654.6	Standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN	2838.2	Semi standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN	2624.7	Standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2746.2	Semi standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2583.7	Standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2911.2	Semi standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2681.7	Standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2776.0	Semi standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2622.9	Standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2987.4	Semi standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2734.5	Standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2858.8	Semi standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2677.2	Standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2930.5	Semi standard non polar	33892256
Glycyl-Asparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2709.4	Standard non polar	33892256
Glycyl-Asparagine,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(CC(N)=O)C(=O)O	2886.6	Semi standard non polar	33892256
Glycyl-Asparagine,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(CC(N)=O)C(=O)O	2676.4	Standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(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	3186.0	Semi standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(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	2877.9	Standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=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	3016.5	Semi standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=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	2832.1	Standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=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	3094.2	Semi standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=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	2872.8	Standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=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	3016.7	Semi standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=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	2861.0	Standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CC(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	3114.7	Semi standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CC(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	2888.2	Standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC(=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	3252.7	Semi standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC(=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	2975.1	Standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC(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	3160.7	Semi standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC(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	2916.3	Standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=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	3113.5	Semi standard non polar	33892256
Glycyl-Asparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=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	2915.7	Standard non polar	33892256
Glycyl-Asparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=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	3449.0	Semi standard non polar	33892256
Glycyl-Asparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=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	3135.5	Standard non polar	33892256
Glycyl-Asparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC(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	3331.2	Semi standard non polar	33892256
Glycyl-Asparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC(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	3089.0	Standard non polar	33892256
Glycyl-Asparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=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	3291.5	Semi standard non polar	33892256
Glycyl-Asparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=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	3085.9	Standard non polar	33892256
Glycyl-Asparagine,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(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3435.8	Semi standard non polar	33892256
Glycyl-Asparagine,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(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3164.4	Standard non polar	33892256
Glycyl-Asparagine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=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	3617.3	Semi standard non polar	33892256
Glycyl-Asparagine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=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	3343.3	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-Asparagine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0536-9400000000-ce156abfaad36bd19dad	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Asparagine GC-MS (1 TMS) - 70eV, Positive	splash10-05ai-9320000000-3a5dacb903d488186c86	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Asparagine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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-Asparagine 10V, Positive-QTOF	splash10-00dl-3900000000-f95ed30d1bb0a6dac19b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 20V, Positive-QTOF	splash10-053r-9600000000-61ee79a2424e5aa4b43d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 40V, Positive-QTOF	splash10-0540-9000000000-0980d6d24e5765b67ed9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 10V, Negative-QTOF	splash10-000i-0900000000-2b819399c9091bf6f8d4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 20V, Negative-QTOF	splash10-006x-7900000000-bc34ff68c033e40a0eaf	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 40V, Negative-QTOF	splash10-0006-9000000000-f1f2c0745610d4556f0a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 10V, Positive-QTOF	splash10-00lu-0900000000-1d72c688397a2b58fed6	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 20V, Positive-QTOF	splash10-014i-0900000000-0df77d277466e9f1c251	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 40V, Positive-QTOF	splash10-000i-9100000000-999fc6e70f743ffa03e8	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 10V, Negative-QTOF	splash10-03di-1900000000-1f1a4fc04ae9fe8ca2a5	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 20V, Negative-QTOF	splash10-03ei-6900000000-8be26564e156b068760f	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Asparagine 40V, Negative-QTOF	splash10-0006-9000000000-f7f6d2f1ae961837664a	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)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX 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

FDB111875

KNApSAcK ID

Not Available

Chemspider ID

270647

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

306141

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

GLYASN

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Glycyl-Asparagine (HMDB0028836)

MOL for HMDB0028836 (Glycyl-Asparagine)

3D MOL for HMDB0028836 (Glycyl-Asparagine)

3D SDF for HMDB0028836 (Glycyl-Asparagine)

3D-SDF for HMDB0028836 (Glycyl-Asparagine)

PDB for HMDB0028836 (Glycyl-Asparagine)

3D PDB for HMDB0028836 (Glycyl-Asparagine)

SMILES for HMDB0028836 (Glycyl-Asparagine)

INCHI for HMDB0028836 (Glycyl-Asparagine)

Structure for HMDB0028836 (Glycyl-Asparagine)

3D Structure for HMDB0028836 (Glycyl-Asparagine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra