Isodityrosine
PubChem CID: 134162
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| Compound Synonyms | Isodityrosine, 83118-65-4, L-Tyrosine, O-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl)-, L-Tyrosine, O-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-, (2S)-2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]propanoic acid, (2S)-2-amino-3-(4-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy)phenyl)propanoic acid, (2S)-2-AMINO-3-{4-[5-(2-AMINO-2-CARBOXYETHYL)-2-HYDROXYPHENOXY]PHENYL}PROPANOIC ACID, DTXSID40276343 |
|---|---|
| Topological Polar Surface Area | 156.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | FWZXNPNHUWFOCM-LSLKUGRBSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | L-tyrosine, O-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl)- |
| Heavy Atom Count | 26.0 |
| Compound Name | Isodityrosine |
| Description | Isodityrosine belongs to tyrosine and derivatives class of compounds. Those are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Isodityrosine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Isodityrosine can be found in potato, which makes isodityrosine a potential biomarker for the consumption of this food product. |
| Exact Mass | 360.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.132 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 480.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 360.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]propanoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H20N2O6/c19-13(17(22)23)7-10-1-4-12(5-2-10)26-16-9-11(3-6-15(16)21)8-14(20)18(24)25/h1-6,9,13-14,21H,7-8,19-20H2,(H,22,23)(H,24,25)/t13-,14?/m0/s1 |
| Smiles | C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC2=C(C=CC(=C2)CC(C(=O)O)N)O |
| Xlogp | -3.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H20N2O6 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all