(S)-2-Amino-5-(((S)-1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-5-oxopentanoic acid
PubChem CID: 5056755
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| Compound Synonyms | (S)-2-Amino-5-(((S)-1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-5-oxopentanoic acid, SCHEMBL159886, CHEBI:181244, 2-amino-5-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid |
|---|---|
| Topological Polar Surface Area | 150.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 22.0 |
| Description | Isolated from the seeds of Glycine max (soybean) Gamma-Glutamyltyrosine is made of glutamic acid and tyrosine. o-Tyrosine is a normal human metabolite. Its presence is possible due to the hydroxylation of l-phenylalanine by hydroxyl radical (*OH), and is proposed as an hydroxy radical biomarker of oxidative damage to proteins. o-Tyrosine might also be included in the diet and absorbed. It has been associated with disease such as Kwashiorkor, a severe form of protein-energy malnutrition. However, many publications mention that the results are inconclusive, and o-tyrosine is not selectively altered by antioxidant intervention, exercise training or age. (PMID: 14670743, 10969271, 9887186). N-gamma-L-Glutamyl-L-tyrosine is found in pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -3.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C14H18N2O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VVLXCWVSSLFQDS-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Synonyms | g-Glutamyltyrosine, Gamma-glutamyltyrosine, N-l-gamma-glutamyl-l-tyrosine, γ-glutamyltyrosine |
| Substituent Name | N-acyl-aliphatic-alpha amino acid, 3-phenylpropanoic-acid, D-alpha-amino acid, Amphetamine or derivatives, Alpha-amino acid, Phenol, Amino fatty acid, Fatty acyl, Benzenoid, Dicarboxylic acid or derivatives, Monocyclic benzene moiety, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Carboxylic acid, Carboximidic acid derivative, Carboximidic acid, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aromatic homomonocyclic compound |
| Compound Name | (S)-2-Amino-5-(((S)-1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-5-oxopentanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.116 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.12431538181818161 |
| Inchi | InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22) |
| Smiles | C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCC(C(=O)O)N)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lotus Corniculatus (Plant) Rel Props:Source_db:cmaup_ingredients