BMRB

Biological Magnetic Resonance Data Bank


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

Stearic Acid

Graphical representations:

Stearic Acid image

Molecular Formula: C18 H36 O2

Natural Isotopic Abundance Mass: 284.47724

Mono-Isotopic Molecular Masses:

  • C12N14: 284.2715303998
  • C13N14: 302.3319174802
  • C12N15: 284.2715303998
  • C13N15: 302.3319174802

InCHi String: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

canonical and isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
octadecanoic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
stearic acid

PubChem Substance (SID):   85165270   7847187   37916460
PubChem Compound (CID):   5281
KEGG: Compound ID   D00119
CAS Registry IDs:   68937-76-8   57-11-4   609343-71-7
PDB Chemical Component   STE
Miscellaneous Databases and IDs:   Sigma-Aldrich S4751_SIGMA   ChEBI CHEBI:28842   CambridgeSoft Corporation 9078   EPA DSSTox 33994   LipidMAPS LMFA01010018   ChemIDplus 068937768   ChemSpider 13887892   MMDB 58704.4   EINECS 273-087-8   DTP/NCI 25956   NIST Chemistry WebBook 1786862761   MMCD cq_00998   MDL MFCD00002752

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.