BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

5_methoxytryptamine

Graphical representations:

5_methoxytryptamine image

Molecular Formula: C11 H14 N2 O

Natural Isotopic Abundance Mass: 190.24166

Mono-Isotopic Molecular Masses:

  • C12N14: 190.1106130819
  • C13N14: 201.1475162977
  • C12N15: 192.1046828683
  • C13N15: 203.1415860841

InCHi String:

canonical and isomeric SMILES: COC1=CC2=C(C=C1)NC=C2CCN

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-(5-methoxy-1H-indol-3-yl)ethanamine

PUBCHEM iupac TRADITIONAL NAME
2-(5-methoxy-1H-indol-3-yl)ethylamine

PubChem Substance (SID):   111677769   50111152   46530516
PubChem Compound (CID):   1833
KEGG: Compound ID   n/a
CAS Registry IDs:   608-07-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 286583_ALDRICH   ChEBI CHEBI:2089   NCGC NCGC00162256-01   MMCD cq_03185   MDL MFCD00005662

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.