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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Probucol

Probucol synonyms

Biphenabid; DH 581; DH-581; DH581; Lorelco; Lurselle; Panavir; Probucol; Superlipid

Wikipedia:

Graphical representations:

Probucol image

View large 3D structure

Molecular Formula: C31H48O2S2

Natural Isotopic Abundance Mass: 516.84162

Mono-Isotopic Molecular Masses:

  • C12N14: 516.309572776
  • C13N14: 547.413572754
  • C12N15: 516.309572776
  • C13N15: 547.413572754

InChI String: InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   4912
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