BMRB

Biological Magnetic Resonance Data Bank


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

Dopamine

Graphical representations:

Dopamine image

Molecular Formula: C8 H11 N O2

Natural Isotopic Abundance Mass: 153.17844

Mono-Isotopic Molecular Masses:

  • C12N14: 153.0789786025
  • C13N14: 161.1058173049
  • C12N15: 154.0760134957
  • C13N15: 162.1028521981

InCHi String: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

canonical and isomeric SMILES: C1=CC(=C(C=C1CCN)O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
4-(2-aminoethyl)benzene-1,2-diol

PUBCHEM iupac TRADITIONAL NAME
4-(2-aminoethyl)pyrocatechol

PUBCHEM iupac SYSTEMATIC NAME
4-(2-azanylethyl)benzene-1,2-diol

PubChem Substance (SID):   144080910   24277897   6517
PubChem Compound (CID):   681
KEGG: Compound ID   C03758
CAS Registry IDs:   51-61-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 62-31-7   MMCD cq_02226   EC Number 200-527-8   Beilstein Registry Number 3656720   Sigma-Aldrich H8502_SIGMA   ChEBI CHEBI:18243   LeadScope LS-159   HSDB 3068   ChemIDplus 000051616   SMID LDP   BIND 156   EINECS 200-110-0   NIST 366576687

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.