Biological Magnetic Resonance Data Bank

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

Retinyl Palmitate

Graphical representations:


View large 3D structure

Molecular Formula: C36H60O2

Natural Isotopic Abundance Mass: 524.8604

Mono-Isotopic Molecular Masses:

  • C12N14: 524.4593311702
  • C13N14: 560.580105331
  • C12N15: 524.4593311702
  • C13N15: 560.580105331

InChI string: InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+

PubChem Compound (CID): 5280531
CAS Registry number: 79-81-2
Sigma-Aldrich: R3375_SIGMA
ChEBI: CHEBI:17616
EPA DSSTox: 30675
LipidMAPS: LMPR01090013
ChemSpider: 4444162
BIND: 133
KEGG Compound ID: D00164
NIST Chemistry WebBook: 1208603685
MMCD: cq_01587
MDL: MFCD00019414

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,