BMRB

Biological Magnetic Resonance Data Bank


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

Pentadecanoic Acid

Graphical representations:

pentadecanoic acid image

Molecular Formula: C15 H30 O2

Natural Isotopic Abundance Mass: 242.3975

Mono-Isotopic Molecular Masses:

  • C12N14: 242.2245802072
  • C13N14: 257.2749027742
  • C12N15: 242.2245802072
  • C13N15: 257.2749027742

InCHi String:

canonical and isomeric SMILES: CCCCCCCCCCCCCCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
pentadecanoic acid

PubChem Substance (SID):   85165338   5571671   37913858
PubChem Compound (CID):   13849
KEGG: Compound ID   C16537
CAS Registry IDs:   1002-84-2
PDB Chemical Component   F15
Miscellaneous Databases and IDs:   Sigma-Aldrich P6125_SIGMA   ChEBI CHEBI:42504   ChemIDplus 001002842   ChemSpider 13885238   MMDB 31650.9   EINECS 213-693-1   DTP/NCI 28486   EPA DSSTox 21652   LipidMAPS LMFA01010015   Beilstein Handbook Reference 4-02-00-01147   ChemDB 3969349   NIST Chemistry WebBook 3775002218   MMCD cq_10806   MDL MFCD00002745

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.