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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:02:09 UTC
Update Date2021-09-14 15:41:37 UTC
HMDB IDHMDB0028699
Secondary Accession Numbers
  • HMDB28699
Metabolite Identification
Common NameAlanyltyrosine
DescriptionAlanyltyrosine, also known as A-Y or L-ala-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. Alanyltyrosine 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 alanyltyrosine a potential biomarker for the consumption of these foods. Alanyltyrosine 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 Alanyltyrosine.
Structure
Thumb
Synonyms
ValueSource
A-YChEBI
AYChEBI
L-Ala-L-tyrChEBI
SarcophagineHMDB
Ala-tyrHMDB
L-Alanyl-L-tyrosineHMDB
Alanyltyrosine, (N-beta-ala-L-tyr)-isomerHMDB
beta-Alanyl-tyrosineHMDB
a-Y dipeptideHMDB
AY dipeptideHMDB
Alanine tyrosine dipeptideHMDB
Alanine-tyrosine dipeptideHMDB
Alanyl-tyrosineHMDB
N-AlanyltyrosineHMDB
N-L-Alanyl-L-tyrosineHMDB
AlanyltyrosineMeSH
Chemical FormulaC12H16N2O4
Average Molecular Weight252.27
Monoisotopic Molecular Weight252.111007003
IUPAC Name(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanoic acid
Traditional Name(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanoic acid
CAS Registry Number3061-88-9
SMILES
C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
InChI KeyALZVPLKYDKJKQU-XVKPBYJWSA-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
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-2.03Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedBoth
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
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. 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 ]
  2. 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 IDFDB111756
KNApSAcK IDNot Available
Chemspider ID83903
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound92946
PDB IDNot Available
ChEBI ID73395
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. 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. Wink DA, Nims RW, Darbyshire JF, Christodoulou D, Hanbauer I, Cox GW, Laval F, Laval J, Cook JA, Krishna MC, et al.: Reaction kinetics for nitrosation of cysteine and glutathione in aerobic nitric oxide solutions at neutral pH. Insights into the fate and physiological effects of intermediates generated in the NO/O2 reaction. Chem Res Toxicol. 1994 Jul-Aug;7(4):519-25. [PubMed:7981416 ]
  3. El'chinova GI, Roshchina IuV, Zinchenko RA, Zinchenko SP, Ginter EK: [Population genetic study of the Alatyr region of the Republic of Chuvashiia]. Genetika. 2002 Feb;38(2):251-8. [PubMed:11898615 ]
  4. Perez M, Wappner P, Quesada-Allue LA: Catecholamine-beta-alanyl ligase in the medfly Ceratitis capitata. Insect Biochem Mol Biol. 2002 Jun;32(6):617-25. [PubMed:12020836 ]
  5. Stearns JA, Guidi M, Boyarkin OV, Rizzo TR: Conformation-specific infrared and ultraviolet spectroscopy of tyrosine-based protonated dipeptides. J Chem Phys. 2007 Oct 21;127(15):154322. [PubMed:17949164 ]
  6. Bumpus JA, Trax M, Reisdorph A, Boyd C, Gilbert D, Techau S, Ventullo RM: An in silico analysis of cytochrome c from Phanerochaete chrysosporium: its amino acid sequence and characterization of gene structural elements. In Silico Biol. 2008;8(1):1-13. [PubMed:18430985 ]
  7. Zinchenko RA, Zinchenko SP, Galkina VA, El'chinova GI, Nurbaev SD, Poliakov AV, Nekrasova NIu, Ginter EK: [Prevalence and molecular-genetic typing of nonsyndromal neurosensory deafness in the Chuvash Republic]. Genetika. 2003 Sep;39(9):1275-84. [PubMed:14582398 ]