CHEBI:84326 - cholesteryl heptadecanoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name cholesteryl heptadecanoate ChEBI ID CHEBI:84326 Definition A cholesterol ester obtained by the formal condensation of cholesterol with margaric acid. Stars This entity has been manually annotated by the ChEBI Team. 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 C44H78O2 Net Charge 0 Average Mass 639.08890 Monoisotopic Mass 638.60018 InChI InChI=1S/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1 InChIKey PPQNZVDOBYGOLY-BFGJSWSOSA-N SMILES CCCCCCCCCCCCCCCCC(=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 heptadecanoate (CHEBI:84326) has functional parent heptadecanoic acid (CHEBI:32365) cholesteryl heptadecanoate (CHEBI:84326) has role mouse metabolite (CHEBI:75771) cholesteryl heptadecanoate (CHEBI:84326) is a cholesteryl ester (CHEBI:17002) IUPAC Name (3β)-cholest-5-en-3-yl heptadecanoate Synonyms Sources 17:0 Cholesteryl ester LIPID MAPS CE(17:0) HMDB Manual Xrefs Databases HMDB0060059 HMDB LMST01020026 LIPID MAPS View more database links Registry Number Type Source 6547818 Reaxys Registry Number Reaxys Citations Types Sources 2339790 PubMed citation Europe PMC 2584344 PubMed citation Europe PMC 7952108 PubMed citation Europe PMC 8077850 PubMed citation Europe PMC Last Modified 23 October 2015