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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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16-hydroxyhexadecanoic Acid
16-hydroxyhexadecanoic Acid synonyms
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:
- C12N14: 272.2351448935
- C13N14: 288.2888222983
- C12N15: 272.2351448935
- C13N15: 288.2888222983
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
PubChem Compound (CID): 10466
KEGG: Compound ID n/a
CAS Registry IDs: 506-13-8
PDB Chemical Component n/a
Miscellaneous Databases and IDs: Sigma-Aldrich 177490_ALDRICH ChEBI CHEBI:55328 EINECS 208-028-7 LipidMAPS LMFA01050051 ChemDB 5752896 ChemIDplus 000506138 NIST 2917536532 MMCD cq_10346 MDL MFCD00002750
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