CHEBI:88774 - CE(22:2(13Z,16Z))

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ChEBI Name CE(22:2(13Z,16Z)) ChEBI ID CHEBI:88774 Stars This entity has been manually annotated by a third party. 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 C49H84O2 Net Charge 0 Average Mass 705.192 Monoisotopic Mass 704.64713 InChI InChI=1S/C49H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,30,39-40,42-46H,7-10,13,16-29,31-38H2,1-6H3/b12-11-,15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1 InChIKey YSGVSTJGBYXXIM-OVUVNFMNSA-N SMILES O([C@@H]1CC=2[C@@](C3C(C4[C@@](C(CC4)[C@@H](CCCC(C)C)C)(CC3)C)CC2)(CC1)C)C(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing CE(22:2(13Z,16Z)) (CHEBI:88774) is a CE(22:2) (CHEBI:183801) Synonyms Sources (2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (13Z,16Z)-docosa-13,16-dienoate HMDB 13,16-Docosadienoate HMDB 13,16-Docosadienoic acid HMDB 22:2 Cholesterol ester HMDB Cholest-5-en-3beta-yl (13Z,16Z-docosadienoate HMDB Cholest-5-en-3beta-yl (13Z,16Z-docosadienoate) HMDB Cholest-5-en-3beta-yl (13Z,16Z-docosadienoic acid HMDB Cholesteryl docosadienoate HMDB Cholesteryl docosadienoic acid HMDB Manual Xrefs Databases Cholesterol-esters MetaCyc HMDB0006737 HMDB View more database links Citations Types Sources 21359215 PubMed citation Europe PMC 22411374 PubMed citation Europe PMC Last Modified 15 November 2021