CHEBI:82750 - cholesteryl stearate

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ChEBI Name cholesteryl stearate ChEBI ID CHEBI:82750 Definition A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid. Stars This entity has been manually annotated by the ChEBI Team. Submitter AnneNiknejad Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C45H80O2 Net Charge 0 Average Mass 653.11550 Monoisotopic Mass 652.61583 InChI InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 InChIKey XHRPOTDGOASDJS-XNTGVSEISA-N SMILES CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C Metabolite of Species Details Mus musculus (NCBI:txid10090) See: MetaboLights Study Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing cholesteryl stearate (CHEBI:82750) has functional parent octadecanoic acid (CHEBI:28842) cholesteryl stearate (CHEBI:82750) has role mouse metabolite (CHEBI:75771) cholesteryl stearate (CHEBI:82750) is a cholesteryl ester (CHEBI:17002) IUPAC Name (3β)-cholest-5-en-3-yl octadecanoate Synonyms Sources 18:0 Cholesteryl ester LIPID MAPS 3β-octadecanoyloxycholest-5-ene NIST Chemistry WebBook CE(18:0) LIPID MAPS Cholest-5-en-3-beta-yl octadecanoate SUBMITTER Cholest-5-en-3-beta-yl stearate ChemIDplus cholest-5-en-3β-yl octadecanoate LIPID MAPS cholest-5-en-3β-yl stearate NIST Chemistry WebBook cholesterol stearate SUBMITTER Cholesterol stearate ChemIDplus cholesteryl octadecanoate UniProt Cholesteryl octadecanoate ChemIDplus Cholestryl stearate NIST Chemistry WebBook Manual Xrefs Databases LMST01020007 LIPID MAPS NZ585870 Patent View more database links Registry Numbers Types Sources 2068492 Reaxys Registry Number Reaxys 35602-69-8 CAS Registry Number ChemIDplus 35602-69-8 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 20957219 PubMed citation Europe PMC 22687440 PubMed citation Europe PMC 24151965 PubMed citation Europe PMC 24853476 PubMed citation Europe PMC 5762191 PubMed citation Europe PMC 8077850 PubMed citation Europe PMC 9020103 PubMed citation SUBMITTER Last Modified 23 October 2015