BMRB

Biological Magnetic Resonance Data Bank


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

Cholesteryl Palmitate

Cholesteryl Palmitate bmse000544 - Data

Cholesteryl_palmitate synonyms

cholest-5-en-3beta-yl hexadecanoate; cholesterol palmitate; (3beta)-cholest-5-en-3-yl hexadecanoate; cholesteryl hexadecanoate; Hexadecanoic acid, cholesteryl ester; Cholesterol, palmitate; Cholesterol palmitate; Cholesteryl hexadecanoate; Cholesteryl palmitate; (3beta)-cholest-5-en-3-ol hexadecanoate; 16:0 Cholesteryl ester

Wikipedia:

Graphical representations:

cholesteryl_palmitate

View large 3D structure

Molecular Formula: C43H76O2

Natural Isotopic Abundance Mass: 625.06234

Mono-Isotopic Molecular Masses:

  • C12N14: 624.5845316838
  • C13N14: 667.7287897092
  • C12N15: 624.5845316838
  • C13N15: 667.7287897092

InChI string: InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1

PubChem Compound (CID): 246520
CAS Registry number: 601-34-3
Sigma-Aldrich: C6072_SIGMA
ChEBI: CHEBI:3663
ChemSpider: 215725
DTP/NCI: 59692
LipidMAPS: LMST01020005
KEGG Compound ID: C11251
MMCD: cq_07899
MDL: MFCD00003638

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, https://www.nature.com/articles/sdata201773)