5-hydroxy-L-tryptophan   Click here for help

GtoPdb Ligand ID: 4671

Synonyms: 5-hydroxytryptophan
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 99.34
Molecular weight 220.08
XLogP -1.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)N
Isomeric SMILES OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N
InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
InChI Key LDCYZAJDBXYCGN-VIFPVBQESA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
International Nonproprietary Names Click here for help
INN number INN
4407 oxitriptan
Synonyms Click here for help
5-hydroxytryptophan
Database Links Click here for help
CAS Registry No. 4350-09-8 (source: Scifinder)
ChEBI CHEBI:17780
ChEMBL Ligand CHEMBL350221
DrugCentral Ligand 4006
GtoPdb PubChem SID 178101386
PubChem CID 439280
RCSB PDB Ligand 4PQ
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Wikipedia 5-hydroxytryptophan