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5-Hydroxy-L-tryptophan
5-Hydroxy-L-tryptophan synonyms
L-5-Hydroxytryptophan; Cincofarm; 5-hydroxytryptophan L-form; (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; Levothym; L-5-hydroxytryptophan; oxitriptan; 5-hydroxy-L-tryptophan; L-5-HTP; L-2-Amino-3-(5-hydroxyindolyl)propionic acid; 5-Hydroxy-L-tryptophan
Molecular Formula: C11 H12 N2 O3
Natural Isotopic Abundance Mass: 220.22458
Mono-Isotopic Molecular Masses:
- C12N14: 220.0847922619
- C13N14: 231.1216954777
- C12N15: 222.0788620483
- C13N15: 233.1157652641
InChI String: 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
canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N
isomeric SMILES: C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
PUBCHEM iupac TRADITIONAL NAME
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid
PubChem Compound (CID): 439280
KEGG: Compound ID C00643
CAS Registry IDs: 4350-09-8
PDB Chemical Component HRP
Miscellaneous Databases and IDs: Sigma-Aldrich H9772_SIGMA ChEBI CHEBI:17780 EPA DSSTox 5437 ChemSpider 388413
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773