BMRB

Biological Magnetic Resonance Data Bank


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

4-Hydroxytamoxifen

Graphical representations:

4-Hydroxytamoxifen image

View large 3D structure

Molecular Formula: C26H29NO2

Natural Isotopic Abundance Mass: 387.51396

Mono-Isotopic Molecular Masses:

  • C12N14: 387.219829173
  • C13N14: 413.307054961
  • C12N15: 388.216864066
  • C13N15: 414.304089854

InChI String: InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25+

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   63062
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

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