Biological Magnetic Resonance Data Bank

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

5-Phenylpentanoic Acid

5-Phenylpentanoic Acid synonyms

5-Phenylvaleric acid


Graphical representations:

5-Phenylpentanoic acid image

View large 3D structure

Molecular Formula: C11H14O2

Natural Isotopic Abundance Mass: 178.22766

Mono-Isotopic Molecular Masses:

  • C12N14: 178.099379688
  • C13N14: 189.136282906
  • C12N15: 178.099379688
  • C13N15: 189.136282906

InChI String: InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)


PubChem Substance (SID):   n/a
PubChem Compound (CID):   16757
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   5PV
Miscellaneous Databases and IDs:   MMCD cq_11484

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,