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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Palmitic Acid

Graphical representations:

palmitic acid image

View large 3D structure

Molecular Formula: C16 H32 O2

Natural Isotopic Abundance Mass: 256.42408

Mono-Isotopic Molecular Masses:

  • C12N14: 256.2402302714
  • C13N14: 272.2939076762
  • C12N15: 256.2402302714
  • C13N15: 272.2939076762

InChI String: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

canonical and isomeric SMILES: CCCCCCCCCCCCCCCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
hexadecanoic acid

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

PubChem Substance (SID):   85165365   4265933   47207027
PubChem Compound (CID):   985
KEGG: Compound ID   D05341
CAS Registry IDs:   57-10-3
PDB Chemical Component   FAT   PLM
Miscellaneous Databases and IDs:   Sigma-Aldrich P5585_SIGMA   EPA DSSTox 47625   LipidMAPS LMFA01010001   HSDB 5001   BioCyc PALMITATE   SMID FAT   ChemSpider 13887564   BIND 1293   MMCD cq_00181   MDL MFCD00002747

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