|
Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
Member of
![]() |
Juniperic acid; 16-hydroxy-hexadecanoic acid; Hexadecanoic acid, 16-hydroxy-; omega-Hydroxypalmitic acid; 16-Hydroxypalmitic acid; Palmitic acid, 16-hydroxy-; 16-Hydroxyhexadecanoic acid
Molecular Formula: C16 H32 O3
Natural Isotopic Abundance Mass: 272.42348
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
canonical and isomeric SMILES: C(CCCCCCCC(=O)O)CCCCCCCO
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
16-hydroxyhexadecanoic acid
PUBCHEM iupac TRADITIONAL NAME
16-hydroxypalmitic acid
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