BMRB

Biological Magnetic Resonance Data Bank


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

Capsaicin

Capsaicin synonyms

Wikipedia:

Graphical representations:

Capsaicin image

View large 3D structure

Molecular Formula: C18H27NO3

Natural Isotopic Abundance Mass: 305.41188

Mono-Isotopic Molecular Masses:

  • C12N14: 305.199093729
  • C13N14: 323.259480813
  • C12N15: 306.196128622
  • C13N15: 324.256515706

InChI String: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   2548
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   BMRB Ligand Expo 4DY

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