BMRB

Biological Magnetic Resonance Data Bank


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

Palmitoleic acid

Graphical representations:

Palmitoleic acid image

Molecular Formula: C16 H30 O2

Natural Isotopic Abundance Mass: 254.4082

Mono-Isotopic Molecular Masses:

  • C12N14: 254.2245802072
  • C13N14: 270.278257612
  • C12N15: 254.2245802072
  • C13N15: 270.278257612

InCHi String: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-

canonical SMILES: CCCCCCC=CCCCCCCCC(=O)O

isomeric SMILES: CCCCCC/C=C\CCCCCCCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(Z)-hexadec-9-enoic acid

PUBCHEM iupac TRADITIONAL NAME
palmitoleic acid

PUBCHEM iupac CAS NAME
(Z)-9-hexadecenoic acid

PubChem Substance (SID):   144080927   24886954   126524756
PubChem Compound (CID):   445638
KEGG: Compound ID   C08362
CAS Registry IDs:   373-49-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 373-49-9   MMCD cq_05052   Beilstein Registry Number 1725389   MDL number MFCD00004437   Sigma-Aldrich 76169_FLUKA   811 HMDB03229   ChEBI CHEBI:28716   LipidMAPS LMFA01030056   ChEMBL CHEMBL453509   NIST 4219806927

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.