L-tryptophan   Click here for help

GtoPdb Ligand ID: 717

Abbreviated name: L-Trp
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 3
Rotatable bonds 3
Topological polar surface area 79.11
Molecular weight 204.09
XLogP -1.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Cc1c[nH]c2c1cccc2)N
Isomeric SMILES OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N
InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChI Key QIVBCDIJIAJPQS-VIFPVBQESA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
International Nonproprietary Names Click here for help
INN number INN
6173 tryptophan
Database Links Click here for help
BindingDB Ligand 21974
BitterDB Ligand 827
CAS Registry No. 73-22-3 (source: DrugBank)
ChEBI CHEBI:16828
ChEMBL Ligand CHEMBL54976
DrugBank Ligand DB00150
DrugCentral Ligand 2780
GtoPdb PubChem SID 135651515
Immunopaedia Search tryptophan
PubChem CID 6305
RCSB PDB Ligand TRP
Search Google for chemical match using the InChIKey QIVBCDIJIAJPQS-VIFPVBQESA-N
Search Google for chemicals with the same backbone QIVBCDIJIAJPQS
Search PubMed clinical trials tryptophan
Search PubMed titles tryptophan
Search PubMed titles/abstracts tryptophan
Search UniChem for chemical match using the InChIKey QIVBCDIJIAJPQS-VIFPVBQESA-N
Search UniChem for chemicals with the same backbone QIVBCDIJIAJPQS
Wikipedia Tryptophan