BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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5-Hydroxy-L-tryptophan

Graphical representations:

5-Hydroxy-L-tryptophan image

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 Substance (SID):   85165245   3916   11076421
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.