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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:02:45 UTC
Update Date2021-09-14 15:46:59 UTC
HMDB IDHMDB0028853
Secondary Accession Numbers
  • HMDB28853
Metabolite Identification
Common NameGlycyltyrosine
DescriptionGlycyltyrosine, also known as G-Y or gly-L-tyr, belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Glycyltyrosine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make glycyltyrosine a potential biomarker for the consumption of these foods. Glycyltyrosine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Glycyltyrosine.
Structure
Data?1582753348
Synonyms
ValueSource
G-YChEBI
Gly-L-tyrChEBI
GYChEBI
Gly-tyrHMDB
Glycyl-tyrosineHMDB
N-GlycyltyrosineHMDB
N-Glycyl-L-tyrosineHMDB
Glycyl-L-tyrosineHMDB
Glycine tyrosine dipeptideHMDB
Glycine-tyrosine dipeptideHMDB
g-Y dipeptideHMDB
GY dipeptideHMDB
GlycyltyrosineMeSH
Chemical FormulaC11H14N2O4
Average Molecular Weight238.243
Monoisotopic Molecular Weight238.095356939
IUPAC Name(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanoic acid
Traditional Name(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanoic acid
CAS Registry Number658-79-7
SMILES
NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChI KeyXBGGUPMXALFZOT-VIFPVBQESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPeptides
Alternative Parents
Substituents
  • Alpha peptide
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Amino acid or derivatives
  • Amino acid
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Organic oxide
  • Primary aliphatic amine
  • Amine
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-2.6Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.84 g/LALOGPS
logP10(-2.5) g/LALOGPS
logP10(-2.6) g/LChemAxon
logS10(-2.1) g/LALOGPS
pKa (Strongest Acidic)3.4ChemAxon
pKa (Strongest Basic)8.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area112.65 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity59.9 m³·mol⁻¹ChemAxon
Polarizability23.58 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlycyltyrosineNCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O3578.1Standard polar33892256
GlycyltyrosineNCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O2439.5Standard non polar33892256
GlycyltyrosineNCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O2527.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycyltyrosine,1TMS,isomer #1C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)CN)C(=O)O)C=C12354.2Semi standard non polar33892256
Glycyltyrosine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CN2361.3Semi standard non polar33892256
Glycyltyrosine,1TMS,isomer #3C[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O2450.9Semi standard non polar33892256
Glycyltyrosine,1TMS,isomer #4C[Si](C)(C)N(C(=O)CN)[C@@H](CC1=CC=C(O)C=C1)C(=O)O2362.4Semi standard non polar33892256
Glycyltyrosine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN2336.9Semi standard non polar33892256
Glycyltyrosine,2TMS,isomer #2C[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O2429.8Semi standard non polar33892256
Glycyltyrosine,2TMS,isomer #3C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)CN)[Si](C)(C)C)C=C12334.6Semi standard non polar33892256
Glycyltyrosine,2TMS,isomer #4C[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2392.1Semi standard non polar33892256
Glycyltyrosine,2TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)CN)[Si](C)(C)C2302.0Semi standard non polar33892256
Glycyltyrosine,2TMS,isomer #6C[Si](C)(C)N(CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C2622.9Semi standard non polar33892256
Glycyltyrosine,2TMS,isomer #7C[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C2385.1Semi standard non polar33892256
Glycyltyrosine,3TMS,isomer #1C[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2413.5Semi standard non polar33892256
Glycyltyrosine,3TMS,isomer #1C[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2332.2Standard non polar33892256
Glycyltyrosine,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C2329.7Semi standard non polar33892256
Glycyltyrosine,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C2289.5Standard non polar33892256
Glycyltyrosine,3TMS,isomer #3C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C12594.7Semi standard non polar33892256
Glycyltyrosine,3TMS,isomer #3C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C12486.3Standard non polar33892256
Glycyltyrosine,3TMS,isomer #4C[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2423.0Semi standard non polar33892256
Glycyltyrosine,3TMS,isomer #4C[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2413.0Standard non polar33892256
Glycyltyrosine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2511.1Semi standard non polar33892256
Glycyltyrosine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2524.9Standard non polar33892256
Glycyltyrosine,3TMS,isomer #6C[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2339.3Semi standard non polar33892256
Glycyltyrosine,3TMS,isomer #6C[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2433.3Standard non polar33892256
Glycyltyrosine,3TMS,isomer #7C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O2516.1Semi standard non polar33892256
Glycyltyrosine,3TMS,isomer #7C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O2584.0Standard non polar33892256
Glycyltyrosine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2557.3Semi standard non polar33892256
Glycyltyrosine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2482.6Standard non polar33892256
Glycyltyrosine,4TMS,isomer #2C[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2398.4Semi standard non polar33892256
Glycyltyrosine,4TMS,isomer #2C[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2404.9Standard non polar33892256
Glycyltyrosine,4TMS,isomer #3C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C12569.5Semi standard non polar33892256
Glycyltyrosine,4TMS,isomer #3C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C12551.5Standard non polar33892256
Glycyltyrosine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2501.3Semi standard non polar33892256
Glycyltyrosine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2569.5Standard non polar33892256
Glycyltyrosine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2589.1Semi standard non polar33892256
Glycyltyrosine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2537.2Standard non polar33892256
Glycyltyrosine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)CN)C(=O)O)C=C12630.1Semi standard non polar33892256
Glycyltyrosine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CN2603.7Semi standard non polar33892256
Glycyltyrosine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O2687.6Semi standard non polar33892256
Glycyltyrosine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CN)[C@@H](CC1=CC=C(O)C=C1)C(=O)O2621.8Semi standard non polar33892256
Glycyltyrosine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN2883.3Semi standard non polar33892256
Glycyltyrosine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O2948.2Semi standard non polar33892256
Glycyltyrosine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C=C12892.4Semi standard non polar33892256
Glycyltyrosine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C2844.1Semi standard non polar33892256
Glycyltyrosine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C2804.9Semi standard non polar33892256
Glycyltyrosine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3001.3Semi standard non polar33892256
Glycyltyrosine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C2883.9Semi standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3117.0Semi standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C2945.0Standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C3084.0Semi standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C2866.8Standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C13326.6Semi standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C13015.0Standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3194.7Semi standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C2978.8Standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3193.1Semi standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3071.6Standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3050.3Semi standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3018.0Standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3213.9Semi standard non polar33892256
Glycyltyrosine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3090.2Standard non polar33892256
Glycyltyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3495.4Semi standard non polar33892256
Glycyltyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3188.0Standard non polar33892256
Glycyltyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3348.7Semi standard non polar33892256
Glycyltyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3134.8Standard non polar33892256
Glycyltyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](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)C=C13509.3Semi standard non polar33892256
Glycyltyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](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)C=C13218.4Standard non polar33892256
Glycyltyrosine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3395.1Semi standard non polar33892256
Glycyltyrosine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3269.3Standard non polar33892256
Glycyltyrosine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3696.2Semi standard non polar33892256
Glycyltyrosine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3373.5Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glycyltyrosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyltyrosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycyltyrosine 35V, Negative-QTOFsplash10-00di-9100000000-9bbd2fef821314c2d4522021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyltyrosine 10V, Positive-QTOFsplash10-05a9-5490000000-0f6456dbefc4b76487a82018-11-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyltyrosine 20V, Positive-QTOFsplash10-0540-9610000000-d3c5cc964ce0e985afdf2018-11-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyltyrosine 40V, Positive-QTOFsplash10-057i-9500000000-7c570bbba8afca76166f2018-11-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyltyrosine 10V, Positive-QTOFsplash10-000i-0910000000-9e3d2bc0ebeb36eeb99b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyltyrosine 20V, Positive-QTOFsplash10-000i-0900000000-4d205aac43d4548791a12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyltyrosine 40V, Positive-QTOFsplash10-052u-6900000000-de4c05244d2aa092e3152021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyltyrosine 10V, Negative-QTOFsplash10-01q9-1900000000-31f29df88774906cc1b02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyltyrosine 20V, Negative-QTOFsplash10-02n9-5900000000-18aa58bacec134cadc222021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyltyrosine 40V, Negative-QTOFsplash10-006x-9400000000-02d2e046feaa226c9b222021-09-22Wishart 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
  • Feces
  • Saliva
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  2. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  3. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111885
KNApSAcK IDNot Available
Chemspider ID83798
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound92829
PDB IDNot Available
ChEBI ID73517
Food Biomarker OntologyNot Available
VMH IDGLYTYR
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Kee AJ, Smith RC, Gross AS, Madsen DC, Rowe B: The effect of dipeptide structure on dipeptide and amino acid clearance in rats. Metabolism. 1994 Nov;43(11):1373-8. [PubMed:7968592 ]
  2. Schiesel S, Lammerhofer M, Leitner A, Lindner W: Quantitative high-performance liquid chromatography-tandem mass spectrometry impurity profiling methods for the analysis of parenteral infusion solutions for amino acid supplementation containing L-alanyl-L-glutamine. J Chromatogr A. 2012 Oct 12;1259:111-20. doi: 10.1016/j.chroma.2012.01.020. Epub 2012 Jan 18. [PubMed:22305362 ]
  3. 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 ]
  4. Wang DX, Lu GS, Liu W, Wang NG, Guan MZ, Zhao YL, Wang XN, Cheng ZP: [Synthesis of small peptides containing hydroxy-amino-acid, and its effects on progesterone production]. Yao Xue Xue Bao. 1991;26(1):25-9. [PubMed:1887790 ]
  5. Mizuma T, Narasaka T, Awazu S: Uptake of cyclic dipeptide by PEPT1 in Caco-2 cells: phenolic hydroxyl group of substrate enhances affinity for PEPT1. J Pharm Pharmacol. 2002 Sep;54(9):1293-6. [PubMed:12356285 ]
  6. Wykes LJ, House JD, Ball RO, Pencharz PB: Aromatic amino acid metabolism of neonatal piglets receiving TPN: effect of tyrosine precursors. Am J Physiol. 1994 Nov;267(5 Pt 1):E672-9. [PubMed:7977717 ]
  7. Miyashita M, Matsunaga R, Seyama Y, Yamashita S: [Studies on iodinated compounds. X. Isolation and purification of iodoglycyltyrosines]. Yakugaku Zasshi. 1999 Sep;119(9):681-7. [PubMed:10511819 ]