L-tyrosine   

GtoPdb Ligand ID: 4791

Abbreviated name: L-Tyr
Comment: Tyrosine is precursor to noradenaline.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 83.55
Molecular weight 181.07
XLogP -1.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(Cc1ccc(cc1)O)N
Isomeric SMILES OC(=O)[C@H](Cc1ccc(cc1)O)N
InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChI Key OUYCCCASQSFEME-QMMMGPOBSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
International Nonproprietary Names
INN number INN
6174 tyrosine
Comments
Tyrosine is precursor to noradenaline.
Database Links
CAS Registry No. 60-18-4 (source: Scifinder)
ChEBI CHEBI:17895
ChEMBL Ligand CHEMBL925
DrugBank Ligand DB00135
DrugCentral Ligand 2786
GtoPdb PubChem SID 178101493
PubChem CID 6057
RCSB PDB Ligand TYR
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Wikipedia L-tyrosine