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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:02:43 UTC
Update Date2021-09-14 15:46:59 UTC
HMDB IDHMDB0028843
Secondary Accession Numbers
  • HMDB28843
Metabolite Identification
Common NameGlycyl-Histidine
DescriptionGlycyl-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
Data?1582753346
Synonyms
ValueSource
g-H DipeptideHMDB
GH DipeptideHMDB
Gly-hisHMDB
Glycine histidine dipeptideHMDB
Glycine-histidine dipeptideHMDB
GlycylhistidineHMDB
L-Glycyl-L-histidineHMDB
Glycyl-L-histidineMeSH, HMDB
Glycylhistidine, monohydrochlorideMeSH, HMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-(1H-imidazol-5-yl)propanoateGenerator, HMDB
Chemical FormulaC8H12N4O3
Average Molecular Weight212.2059
Monoisotopic Molecular Weight212.09094027
IUPAC Name2-(2-aminoacetamido)-3-(1H-imidazol-5-yl)propanoic acid
Traditional Name2-(2-aminoacetamido)-3-(3H-imidazol-4-yl)propanoic acid
CAS Registry NumberNot 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 KeyYIWFXZNIBQBFHR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • 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 FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-4.49Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility11.7 g/LALOGPS
logP-3ALOGPS
logP-4.6ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)3.27ChemAxon
pKa (Strongest Basic)8.16ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area121.1 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity50.86 m³·mol⁻¹ChemAxon
Polarizability20.18 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+149.40531661259
DarkChem[M-H]-145.79631661259
DeepCCS[M+H]+140.29130932474
DeepCCS[M-H]-136.49430932474
DeepCCS[M-2H]-173.84530932474
DeepCCS[M+Na]+149.38330932474
AllCCS[M+H]+146.132859911
AllCCS[M+H-H2O]+142.332859911
AllCCS[M+NH4]+149.732859911
AllCCS[M+Na]+150.732859911
AllCCS[M-H]-144.432859911
AllCCS[M+Na-2H]-144.832859911
AllCCS[M+HCOO]-145.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Glycyl-HistidineNCC(=O)NC(CC1=CN=CN1)C(O)=O3047.4Standard polar33892256
Glycyl-HistidineNCC(=O)NC(CC1=CN=CN1)C(O)=O2014.5Standard non polar33892256
Glycyl-HistidineNCC(=O)NC(CC1=CN=CN1)C(O)=O2468.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycyl-Histidine,1TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN2328.7Semi standard non polar33892256
Glycyl-Histidine,1TMS,isomer #2C[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O2384.6Semi standard non polar33892256
Glycyl-Histidine,1TMS,isomer #3C[Si](C)(C)N(C(=O)CN)C(CC1=CN=C[NH]1)C(=O)O2256.2Semi standard non polar33892256
Glycyl-Histidine,1TMS,isomer #4C[Si](C)(C)N1C=NC=C1CC(NC(=O)CN)C(=O)O2349.6Semi standard non polar33892256
Glycyl-Histidine,2TMS,isomer #1C[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C2419.4Semi standard non polar33892256
Glycyl-Histidine,2TMS,isomer #1C[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C2148.6Standard non polar33892256
Glycyl-Histidine,2TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)CN2392.2Semi standard non polar33892256
Glycyl-Histidine,2TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)CN2061.1Standard non polar33892256
Glycyl-Histidine,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN)[Si](C)(C)C2249.7Semi standard non polar33892256
Glycyl-Histidine,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN)[Si](C)(C)C2130.0Standard non polar33892256
Glycyl-Histidine,2TMS,isomer #4C[Si](C)(C)N(CC(=O)NC(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C2505.2Semi standard non polar33892256
Glycyl-Histidine,2TMS,isomer #4C[Si](C)(C)N(CC(=O)NC(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C2399.1Standard non polar33892256
Glycyl-Histidine,2TMS,isomer #5C[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C2340.6Semi standard non polar33892256
Glycyl-Histidine,2TMS,isomer #5C[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C2299.2Standard non polar33892256
Glycyl-Histidine,2TMS,isomer #6C[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O2452.6Semi standard non polar33892256
Glycyl-Histidine,2TMS,isomer #6C[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O2237.2Standard non polar33892256
Glycyl-Histidine,2TMS,isomer #7C[Si](C)(C)N(C(=O)CN)C(CC1=CN=CN1[Si](C)(C)C)C(=O)O2319.6Semi standard non polar33892256
Glycyl-Histidine,2TMS,isomer #7C[Si](C)(C)N(C(=O)CN)C(CC1=CN=CN1[Si](C)(C)C)C(=O)O2237.2Standard non polar33892256
Glycyl-Histidine,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2483.1Semi standard non polar33892256
Glycyl-Histidine,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2324.0Standard non polar33892256
Glycyl-Histidine,3TMS,isomer #2C[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2327.1Semi standard non polar33892256
Glycyl-Histidine,3TMS,isomer #2C[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2254.8Standard non polar33892256
Glycyl-Histidine,3TMS,isomer #3C[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C2444.2Semi standard non polar33892256
Glycyl-Histidine,3TMS,isomer #3C[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C2194.2Standard non polar33892256
Glycyl-Histidine,3TMS,isomer #4C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C2305.4Semi standard non polar33892256
Glycyl-Histidine,3TMS,isomer #4C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C2218.9Standard non polar33892256
Glycyl-Histidine,3TMS,isomer #5C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN=C[NH]1)C(=O)O2424.2Semi standard non polar33892256
Glycyl-Histidine,3TMS,isomer #5C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN=C[NH]1)C(=O)O2438.0Standard non polar33892256
Glycyl-Histidine,3TMS,isomer #6C[Si](C)(C)N(CC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2596.7Semi standard non polar33892256
Glycyl-Histidine,3TMS,isomer #6C[Si](C)(C)N(CC(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2429.0Standard non polar33892256
Glycyl-Histidine,3TMS,isomer #7C[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2412.0Semi standard non polar33892256
Glycyl-Histidine,3TMS,isomer #7C[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2357.7Standard non polar33892256
Glycyl-Histidine,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2561.8Semi standard non polar33892256
Glycyl-Histidine,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2379.5Standard non polar33892256
Glycyl-Histidine,4TMS,isomer #2C[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)C2444.9Semi standard non polar33892256
Glycyl-Histidine,4TMS,isomer #2C[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)C2385.0Standard non polar33892256
Glycyl-Histidine,4TMS,isomer #3C[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2390.8Semi standard non polar33892256
Glycyl-Histidine,4TMS,isomer #3C[Si](C)(C)NCC(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2332.0Standard non polar33892256
Glycyl-Histidine,4TMS,isomer #4C[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)O2540.0Semi standard non polar33892256
Glycyl-Histidine,4TMS,isomer #4C[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)O2508.8Standard non polar33892256
Glycyl-Histidine,5TMS,isomer #1C[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)C2566.0Semi standard non polar33892256
Glycyl-Histidine,5TMS,isomer #1C[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)C2484.4Standard non polar33892256
Glycyl-Histidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)CN2576.5Semi standard non polar33892256
Glycyl-Histidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O2607.0Semi standard non polar33892256
Glycyl-Histidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC1=CN=C[NH]1)C(=O)O2497.6Semi standard non polar33892256
Glycyl-Histidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C=NC=C1CC(NC(=O)CN)C(=O)O2623.2Semi standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C2831.9Semi standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C2587.6Standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)CN2886.0Semi standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)CN2515.0Standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN)[Si](C)(C)C(C)(C)C2718.2Semi standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)CN)[Si](C)(C)C(C)(C)C2556.6Standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C2907.7Semi standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C2753.3Standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C2792.7Semi standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C2684.2Standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O2929.9Semi standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O2658.6Standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O2819.7Semi standard non polar33892256
Glycyl-Histidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O2623.0Standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #1CC(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)C3147.7Semi standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #1CC(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)C2888.7Standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #2CC(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)C2993.6Semi standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #2CC(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)C2830.4Standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #3CC(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)C3105.4Semi standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #3CC(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)C2839.1Standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #4CC(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)C3011.5Semi standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #4CC(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)C2814.5Standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #5CC(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)O3079.6Semi standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #5CC(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)O2962.2Standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #6CC(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)C3270.0Semi standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #6CC(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)C2980.7Standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #7CC(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)C3108.9Semi standard non polar33892256
Glycyl-Histidine,3TBDMS,isomer #7CC(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)C2930.7Standard non polar33892256
Glycyl-Histidine,4TBDMS,isomer #1CC(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)C3433.7Semi standard non polar33892256
Glycyl-Histidine,4TBDMS,isomer #1CC(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)C3137.9Standard non polar33892256
Glycyl-Histidine,4TBDMS,isomer #2CC(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)C3269.5Semi standard non polar33892256
Glycyl-Histidine,4TBDMS,isomer #2CC(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)C3085.4Standard non polar33892256
Glycyl-Histidine,4TBDMS,isomer #3CC(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)C3259.3Semi standard non polar33892256
Glycyl-Histidine,4TBDMS,isomer #3CC(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)C3090.2Standard non polar33892256
Glycyl-Histidine,4TBDMS,isomer #4CC(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)O3420.7Semi standard non polar33892256
Glycyl-Histidine,4TBDMS,isomer #4CC(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)O3197.6Standard non polar33892256
Glycyl-Histidine,5TBDMS,isomer #1CC(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)C3587.1Semi standard non polar33892256
Glycyl-Histidine,5TBDMS,isomer #1CC(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)C3360.1Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9400000000-62147360820e4d84ca352017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (1 TMS) - 70eV, Positivesplash10-05ai-9110000000-10336ea326afef271bb72017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Histidine GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 10V, Positive-QTOFsplash10-03ea-7970000000-7725cf46cb5d1aa628bc2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 20V, Positive-QTOFsplash10-001i-9500000000-4a4264b1b9bb2539b68b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 40V, Positive-QTOFsplash10-053u-9300000000-bc601909ada4604006c12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 10V, Negative-QTOFsplash10-03di-0690000000-729750a0242de9e474a62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 20V, Negative-QTOFsplash10-044i-3920000000-2c32fef3d2828126e7d42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 40V, Negative-QTOFsplash10-0006-9300000000-76629f6d7b52f82dedca2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 10V, Positive-QTOFsplash10-03di-0980000000-d9df6fc296f4cbdb01bf2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 20V, Positive-QTOFsplash10-03dr-0900000000-ab9f8c4776c49f6691b32021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 40V, Positive-QTOFsplash10-01q9-9600000000-46135ced930da57e785d2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 10V, Negative-QTOFsplash10-0udr-0900000000-53c8882d5ada6c4d93a82021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 20V, Negative-QTOFsplash10-0bt9-4900000000-db5ab2a238cfb1fe659a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Histidine 40V, Negative-QTOFsplash10-07vl-9400000000-8bb44a4182c7f24e784a2021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Sweat
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
SweatDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Not Specifiedscreen-positive CF details
Associated Disorders and Diseases
Disease References
Cystic fibrosis
  1. 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
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111880
KNApSAcK IDNot Available
Chemspider ID369451
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound417360
PDB IDNot Available
ChEBI ID172454
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]
  2. 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 ]
  3. 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 ]
  4. 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 ]
  5. Inoue S, Kawanishi S: ESR evidence for superoxide, hydroxyl radicals and singlet oxygen produced from hydrogen peroxide and nickel(II) complex of glycylglycyl-L-histidine. Biochem Biophys Res Commun. 1989 Mar 15;159(2):445-51. [PubMed:2539111 ]
  6. Kapota C, Ohanessian G: The low energy tautomers and conformers of the dipeptides HisGly and GlyHis and of their sodium ion complexes in the gas phase. Phys Chem Chem Phys. 2005 Nov 7;7(21):3744-55. Epub 2005 Sep 9. [PubMed:16358024 ]
  7. Casella G, Ferrante F, Saielli G: DFT calculation of 1J(119Sn,13C) and 2J(119Sn,1H) coupling constants in di- and trimethyltin(IV) compounds. Inorg Chem. 2008 Jun 2;47(11):4796-807. doi: 10.1021/ic8000976. Epub 2008 May 6. [PubMed:18459719 ]
  8. Zhang J, Yu X, Zeng B, Cai S, Chen Z: Spectroscopic and theoretical study on the interaction between diperoxovanadate complexes and glycyl-histidine. Spectrochim Acta A Mol Biomol Spectrosc. 2010 Nov;77(4):825-31. doi: 10.1016/j.saa.2010.08.013. Epub 2010 Aug 11. [PubMed:20822949 ]