Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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5-Phenylpentanoic Acid

5-Phenylpentanoic Acid synonyms

5-Phenylvaleric acid


Graphical representations:


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)

MMCD: cq_11484
PDB Compound ID: 5PV
PubChem Compound (CID): 16757

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,