1.0 2018-10-19 17:24:44 UTC 2020-03-13 17:46:26 UTC BMDB0063629 BMDB63629 Tyrosyl-Glycine Tyrosyl-Glycine is a dipeptide composed of tyrosine and glycine. 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. L-Tyrosyl-L-glycine Tyr-gly Tyrosine glycine dipeptide Tyrosine-glycine dipeptide Tyrosylglycine Y-g dipeptide YG dipeptide 2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}acetate C11H14N2O4 238.2399 238.095356946 2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}acetic acid {[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}acetic acid NC(CC1=CC=C(O)C=C1)C(O)=NCC(O)=O InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16) HPYDSVWYXXKHRD-UHFFFAOYSA-N 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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acids Fatty amides Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Secondary carboxylic acid amides Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tyrosine or derivatives Aromatic homomonocyclic compounds logp -2.02 ALOGPS logs -2.42 ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 3.14 ChemAxon pka_strongest_basic 9.84 ChemAxon iupac 2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}acetic acid ChemAxon average_mass 238.2399 ChemAxon mono_mass 238.095356946 ChemAxon smiles NC(CC1=CC=C(O)C=C1)C(O)=NCC(O)=O ChemAxon formula C11H14N2O4 ChemAxon inchi InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16) ChemAxon inchikey HPYDSVWYXXKHRD-UHFFFAOYSA-N ChemAxon polar_surface_area 116.14 ChemAxon refractivity 60.42 ChemAxon polarizability 23.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 23784 Specdb::CMs 41136 Specdb::CMs 121988 Specdb::CMs 993787 Specdb::CMs 993788 Specdb::CMs 993789 Specdb::CMs 993790 Specdb::CMs 993791 Specdb::CMs 993792 Specdb::CMs 993793 Specdb::CMs 993794 Specdb::CMs 993795 Specdb::CMs 993796 Specdb::CMs 993797 Specdb::CMs 993798 Specdb::CMs 993799 Specdb::CMs 993800 Specdb::CMs 993801 Specdb::CMs 993802 Specdb::CMs 993803 Specdb::CMs 993804 Specdb::CMs 993805 Specdb::CMs 993806 Specdb::CMs 993807 Specdb::CMs 993808 Specdb::MsMs 318709 Specdb::MsMs 318710 Specdb::MsMs 318711 Specdb::MsMs 365584 Specdb::MsMs 365585 Specdb::MsMs 365586 Specdb::NmrOneD 241468 Specdb::NmrOneD 241469 Specdb::NmrOneD 241470 Specdb::NmrOneD 241471 Specdb::NmrOneD 241472 Specdb::NmrOneD 241473 Specdb::NmrOneD 241474 Specdb::NmrOneD 241475 Specdb::NmrOneD 241476 Specdb::NmrOneD 241477 Specdb::NmrOneD 241478 Specdb::NmrOneD 241479 Specdb::NmrOneD 241480 Specdb::NmrOneD 241481 Specdb::NmrOneD 241482 Specdb::NmrOneD 241483 Specdb::NmrOneD 241484 Specdb::NmrOneD 241485 Specdb::NmrOneD 241486 Specdb::NmrOneD 241487 Milk Commercial whole milk with 3.25% fat Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809 227627 FDB098413 259323 Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809