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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 21:02:43 UTC

Update Date

2021-09-14 15:46:59 UTC

HMDB ID

HMDB0028843

Secondary Accession Numbers

HMDB28843

Metabolite Identification

Common Name

Glycyl-Histidine

Description

Glycyl-Histidine is a dipeptide composed of glycine and histidine. 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          

 15 15  0  0  0  0            999 V2000
    4.4009   -2.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884   -2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4009   -3.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634   -2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7509   -3.6663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2259   -2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6384   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4634   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9483   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7329   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7329   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9483   -2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6384   -2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4634   -2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2259   -3.6663    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028843

> <DATABASE_NAME>
hmdb

> <SMILES>
NCC(=O)NC(CC1=CN=CN1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)

> <INCHI_KEY>
YIWFXZNIBQBFHR-UHFFFAOYSA-N

> <FORMULA>
C8H12N4O3

> <MOLECULAR_WEIGHT>
212.2059

> <EXACT_MASS>
212.09094027

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
20.179845321341666

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-aminoacetamido)-3-(1H-imidazol-5-yl)propanoic acid

> <ALOGPS_LOGP>
-3.01

> <JCHEM_LOGP>
-4.583274529659305

> <ALOGPS_LOGS>
-1.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.722578611890597

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2748580673921666

> <JCHEM_PKA_STRONGEST_BASIC>
8.156881542827618

> <JCHEM_POLAR_SURFACE_AREA>
121.10000000000002

> <JCHEM_REFRACTIVITY>
50.862500000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.17e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2-aminoacetamido)-3-(3H-imidazol-4-yl)propanoic 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       8.215  -4.176   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       7.445  -5.510   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.215  -6.844   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       5.905  -5.510   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       5.135  -6.844   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       9.755  -4.176   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.525  -2.843   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.065  -2.843   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.970  -1.597   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      14.435  -2.073   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      14.435  -3.613   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      12.970  -4.089   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      10.525  -5.510   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.065  -5.510   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       9.755  -6.844   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   13                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    8                                                       
CONECT   13    6   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   30    0
END

COMPND    HMDB0252881
HETATM    1  N1  UNL     1       3.847   1.949   0.749  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.421   1.788   0.932  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.994   0.516   0.295  1.00  0.00           C  
HETATM    4  O1  UNL     1       2.838  -0.214  -0.280  1.00  0.00           O  
HETATM    5  N2  UNL     1       0.649   0.074   0.304  1.00  0.00           N  
HETATM    6  C3  UNL     1       0.291  -1.164  -0.327  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.604  -0.892  -1.516  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.856  -0.200  -1.135  1.00  0.00           C  
HETATM    9  C6  UNL     1      -3.030  -0.825  -0.780  1.00  0.00           C  
HETATM   10  N3  UNL     1      -3.939   0.125  -0.503  1.00  0.00           N  
HETATM   11  C7  UNL     1      -3.377   1.332  -0.672  1.00  0.00           C  
HETATM   12  N4  UNL     1      -2.114   1.114  -1.055  1.00  0.00           N  
HETATM   13  C8  UNL     1      -0.258  -2.164   0.586  1.00  0.00           C  
HETATM   14  O2  UNL     1      -0.384  -1.911   1.798  1.00  0.00           O  
HETATM   15  O3  UNL     1      -0.644  -3.397   0.118  1.00  0.00           O  
HETATM   16  H1  UNL     1       4.085   2.973   0.637  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.120   1.401  -0.095  1.00  0.00           H  
HETATM   18  H3  UNL     1       1.892   2.668   0.541  1.00  0.00           H  
HETATM   19  H4  UNL     1       2.165   1.719   2.017  1.00  0.00           H  
HETATM   20  H5  UNL     1      -0.042   0.697   0.790  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.226  -1.605  -0.756  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.010  -0.290  -2.234  1.00  0.00           H  
HETATM   23  H8  UNL     1      -0.821  -1.852  -2.049  1.00  0.00           H  
HETATM   24  H9  UNL     1      -3.212  -1.905  -0.726  1.00  0.00           H  
HETATM   25  H10 UNL     1      -3.876   2.302  -0.519  1.00  0.00           H  
HETATM   26  H11 UNL     1      -1.440   1.885  -1.259  1.00  0.00           H  
HETATM   27  H12 UNL     1       0.060  -4.124   0.077  1.00  0.00           H  
CONECT    1    2   16   17
CONECT    2    3   18   19
CONECT    3    4    4    5
CONECT    5    6   20
CONECT    6    7   13   21
CONECT    7    8   22   23
CONECT    8    9    9   12
CONECT    9   10   24
CONECT   10   11   11
CONECT   11   12   25
CONECT   12   26
CONECT   13   14   14   15
CONECT   15   27
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
g-H Dipeptide	HMDB
GH Dipeptide	HMDB
Gly-his	HMDB
Glycine histidine dipeptide	HMDB
Glycine-histidine dipeptide	HMDB
Glycylhistidine	HMDB
L-Glycyl-L-histidine	HMDB
Glycyl-L-histidine	MeSH, HMDB
Glycylhistidine, monohydrochloride	MeSH, HMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-(1H-imidazol-5-yl)propanoate	Generator, HMDB

Chemical Formula

C₈H₁₂N₄O₃

Average Molecular Weight

212.2059

Monoisotopic Molecular Weight

212.09094027

IUPAC Name

2-(2-aminoacetamido)-3-(1H-imidazol-5-yl)propanoic acid

Traditional Name

2-(2-aminoacetamido)-3-(3H-imidazol-4-yl)propanoic acid

CAS Registry Number

Not Available

SMILES

NCC(=O)NC(CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)

InChI Key

YIWFXZNIBQBFHR-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
Histidine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Imidazolyl carboxylic acid derivative
Azole
Imidazole
Heteroaromatic compound
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Organoheterocyclic compound
Carboxylic acid
Azacycle
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

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	-4.49	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	11.7 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.6	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	3.27	ChemAxon
pKa (Strongest Basic)	8.16	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	121.1 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	50.86 m³·mol⁻¹	ChemAxon
Polarizability	20.18 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
DarkChem	[M+H]+	149.405	31661259
DarkChem	[M-H]-	145.796	31661259
DeepCCS	[M+H]+	140.291	30932474
DeepCCS	[M-H]-	136.494	30932474
DeepCCS	[M-2H]-	173.845	30932474
DeepCCS	[M+Na]+	149.383	30932474
AllCCS	[M+H]+	146.1	32859911
AllCCS	[M+H-H2O]+	142.3	32859911
AllCCS	[M+NH4]+	149.7	32859911
AllCCS	[M+Na]+	150.7	32859911
AllCCS	[M-H]-	144.4	32859911
AllCCS	[M+Na-2H]-	144.8	32859911
AllCCS	[M+HCOO]-	145.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-Histidine	NCC(=O)NC(CC1=CN=CN1)C(O)=O	3047.4	Standard polar	33892256
Glycyl-Histidine	NCC(=O)NC(CC1=CN=CN1)C(O)=O	2014.5	Standard non polar	33892256
Glycyl-Histidine	NCC(=O)NC(CC1=CN=CN1)C(O)=O	2468.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-Histidine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN	2328.7	Semi standard non polar	33892256
Glycyl-Histidine,1TMS,isomer #2	C[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O	2384.6	Semi standard non polar	33892256
Glycyl-Histidine,1TMS,isomer #3	C[Si](C)(C)N(C(=O)CN)C(CC1=CN=C[NH]1)C(=O)O	2256.2	Semi standard non polar	33892256
Glycyl-Histidine,1TMS,isomer #4	C[Si](C)(C)N1C=NC=C1CC(NC(=O)CN)C(=O)O	2349.6	Semi standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2419.4	Semi standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2148.6	Standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)CN	2392.2	Semi standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)CN	2061.1	Standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN)[Si](C)(C)C	2249.7	Semi standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN)[Si](C)(C)C	2130.0	Standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #4	C[Si](C)(C)N(CC(=O)NC(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2505.2	Semi standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #4	C[Si](C)(C)N(CC(=O)NC(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2399.1	Standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2340.6	Semi standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2299.2	Standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #6	C[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O	2452.6	Semi standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #6	C[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O	2237.2	Standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #7	C[Si](C)(C)N(C(=O)CN)C(CC1=CN=CN1[Si](C)(C)C)C(=O)O	2319.6	Semi standard non polar	33892256
Glycyl-Histidine,2TMS,isomer #7	C[Si](C)(C)N(C(=O)CN)C(CC1=CN=CN1[Si](C)(C)C)C(=O)O	2237.2	Standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2483.1	Semi standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2324.0	Standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2327.1	Semi standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2254.8	Standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2444.2	Semi standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2194.2	Standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2305.4	Semi standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2218.9	Standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #5	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN=C[NH]1)C(=O)O	2424.2	Semi standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #5	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN=C[NH]1)C(=O)O	2438.0	Standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #6	C[Si](C)(C)N(CC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2596.7	Semi standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #6	C[Si](C)(C)N(CC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2429.0	Standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2412.0	Semi standard non polar	33892256
Glycyl-Histidine,3TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2357.7	Standard non polar	33892256
Glycyl-Histidine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2561.8	Semi standard non polar	33892256
Glycyl-Histidine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2379.5	Standard non polar	33892256
Glycyl-Histidine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2444.9	Semi standard non polar	33892256
Glycyl-Histidine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2385.0	Standard non polar	33892256
Glycyl-Histidine,4TMS,isomer #3	C[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2390.8	Semi standard non polar	33892256
Glycyl-Histidine,4TMS,isomer #3	C[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2332.0	Standard non polar	33892256
Glycyl-Histidine,4TMS,isomer #4	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)C(=O)O	2540.0	Semi standard non polar	33892256
Glycyl-Histidine,4TMS,isomer #4	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)C(=O)O	2508.8	Standard non polar	33892256
Glycyl-Histidine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2566.0	Semi standard non polar	33892256
Glycyl-Histidine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2484.4	Standard non polar	33892256
Glycyl-Histidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN	2576.5	Semi standard non polar	33892256
Glycyl-Histidine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O	2607.0	Semi standard non polar	33892256
Glycyl-Histidine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC1=CN=C[NH]1)C(=O)O	2497.6	Semi standard non polar	33892256
Glycyl-Histidine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C=NC=C1CC(NC(=O)CN)C(=O)O	2623.2	Semi standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	2831.9	Semi standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	2587.6	Standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)CN	2886.0	Semi standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)CN	2515.0	Standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2718.2	Semi standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2556.6	Standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	2907.7	Semi standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	2753.3	Standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	2792.7	Semi standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	2684.2	Standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	2929.9	Semi standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	2658.6	Standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	2819.7	Semi standard non polar	33892256
Glycyl-Histidine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	2623.0	Standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3147.7	Semi standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2888.7	Standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2993.6	Semi standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2830.4	Standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3105.4	Semi standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2839.1	Standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	3011.5	Semi standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2814.5	Standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #5	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=CN=C[NH]1)C(=O)O	3079.6	Semi standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #5	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=CN=C[NH]1)C(=O)O	2962.2	Standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3270.0	Semi standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2980.7	Standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3108.9	Semi standard non polar	33892256
Glycyl-Histidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2930.7	Standard non polar	33892256
Glycyl-Histidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3433.7	Semi standard non polar	33892256
Glycyl-Histidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3137.9	Standard non polar	33892256
Glycyl-Histidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)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	3269.5	Semi standard non polar	33892256
Glycyl-Histidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)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	3085.4	Standard non polar	33892256
Glycyl-Histidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3259.3	Semi standard non polar	33892256
Glycyl-Histidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3090.2	Standard non polar	33892256
Glycyl-Histidine,4TBDMS,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(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3420.7	Semi standard non polar	33892256
Glycyl-Histidine,4TBDMS,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(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3197.6	Standard non polar	33892256
Glycyl-Histidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[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	3587.1	Semi standard non polar	33892256
Glycyl-Histidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[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	3360.1	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-Histidine GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9400000000-62147360820e4d84ca35	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine GC-MS (1 TMS) - 70eV, Positive	splash10-05ai-9110000000-10336ea326afef271bb7	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Histidine 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-Histidine 10V, Positive-QTOF	splash10-03ea-7970000000-7725cf46cb5d1aa628bc	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 20V, Positive-QTOF	splash10-001i-9500000000-4a4264b1b9bb2539b68b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 40V, Positive-QTOF	splash10-053u-9300000000-bc601909ada4604006c1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 10V, Negative-QTOF	splash10-03di-0690000000-729750a0242de9e474a6	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 20V, Negative-QTOF	splash10-044i-3920000000-2c32fef3d2828126e7d4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 40V, Negative-QTOF	splash10-0006-9300000000-76629f6d7b52f82dedca	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 10V, Positive-QTOF	splash10-03di-0980000000-d9df6fc296f4cbdb01bf	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 20V, Positive-QTOF	splash10-03dr-0900000000-ab9f8c4776c49f6691b3	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 40V, Positive-QTOF	splash10-01q9-9600000000-46135ced930da57e785d	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 10V, Negative-QTOF	splash10-0udr-0900000000-53c8882d5ada6c4d93a8	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 20V, Negative-QTOF	splash10-0bt9-4900000000-db5ab2a238cfb1fe659a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Histidine 40V, Negative-QTOF	splash10-07vl-9400000000-8bb44a4182c7f24e784a	2021-10-12	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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Sweat

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Sweat	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Not Specified	screen-positive CF	Adriana Nori...	details

Associated Disorders and Diseases

Disease References

Cystic fibrosis
Adriana Nori de Macedo. Robust capillary electrophoresis methods for biomarker discovery and routine measurements in clinical and epidemiological applications. March 2017 [Link]

Associated OMIM IDs

219700 (Cystic fibrosis)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111880

KNApSAcK ID

Not Available

Chemspider ID

369451

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

417360

PDB ID

Not Available

ChEBI ID

172454

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

Wang P, Wesdemiotis C, Kapota C, Ohanessian G: The sodium ion affinities of simple di-, tri-, and tetrapeptides. J Am Soc Mass Spectrom. 2007 Mar;18(3):541-52. Epub 2006 Dec 8. [PubMed:17157529 ]
Girelli AM, Mattei E, Messina A, Tarola AM: Inhibition of polyphenol oxidases activity by various dipeptides. J Agric Food Chem. 2004 May 19;52(10):2741-5. [PubMed:15137808 ]
Islam MK, Tsuboya C, Kusaka H, Aizawa S, Ueki T, Michibata H, Kanamori K: Reduction of vanadium(V) to vanadium(IV) by NADPH, and vanadium(IV) to vanadium(III) by cysteine methyl ester in the presence of biologically relevant ligands. Biochim Biophys Acta. 2007 Aug;1770(8):1212-8. Epub 2007 May 21. [PubMed:17574763 ]
Turecek F, Yao C, Fung YM, Hayakawa S, Hashimoto M, Matsubara H: Histidine-containing radicals in the gas phase. J Phys Chem B. 2009 May 21;113(20):7347-66. doi: 10.1021/jp900719n. [PubMed:19388698 ]
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Showing metabocard for Glycyl-Histidine (HMDB0028843)

MOL for HMDB0028843 (Glycyl-Histidine)

3D MOL for HMDB0028843 (Glycyl-Histidine)

3D SDF for HMDB0028843 (Glycyl-Histidine)

3D-SDF for HMDB0028843 (Glycyl-Histidine)

PDB for HMDB0028843 (Glycyl-Histidine)

3D PDB for HMDB0028843 (Glycyl-Histidine)

SMILES for HMDB0028843 (Glycyl-Histidine)

INCHI for HMDB0028843 (Glycyl-Histidine)

Structure for HMDB0028843 (Glycyl-Histidine)

3D Structure for HMDB0028843 (Glycyl-Histidine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra