CHEBI:142698 - CE(22:4(7Z,10Z,13Z,16Z))

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ChEBI Name CE(22:4(7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:142698
Definition A cholesteryl ester resulting from the formal condensation of the carboxy group of all-cis-docosa-7,10,13,16-tetraenoic acid (adrenic acid) with the hydroxy group of cholesterol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter janelomax
Supplier Information
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Formula C49H80O2
Net Charge 0
Average Mass 701.160
Monoisotopic Mass 700.61583
InChI InChI=1S/C49H80O2/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/h11-12,14-15,17-18,20-21,30,39-40,42-46H,7-10,13,16,19,22-29,31-38H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1
InChIKey ITGTXSFLBABXQA-BMURBKCOSA-N
SMILES C(=C\C/C=C\C/C=C\CCCCCC(O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)=O)\C/C=C\CCCCC
ChEBI Ontology
Outgoing CE(22:4(7Z,10Z,13Z,16Z)) (CHEBI:142698) has functional parent all-cis-docosa-7,10,13,16-tetraenoic acid (CHEBI:53487)
CE(22:4(7Z,10Z,13Z,16Z)) (CHEBI:142698) is a CE(22:4) (CHEBI:183803)
CE(22:4(7Z,10Z,13Z,16Z)) (CHEBI:142698) is a cholesteryl ester (CHEBI:17002)
CE(22:4(7Z,10Z,13Z,16Z)) (CHEBI:142698) is a polyunsaturated fatty ester (CHEBI:145039)
IUPAC Name
(3β)-cholest-5-en-3-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Synonyms Sources
22:4 cholesteryl ester LIPID MAPS
CE(22:4) LIPID MAPS
cholesteryl adrenate ChEBI
Manual Xrefs Databases
FDB024045 FooDB
HMDB0006729 HMDB
LMST01020018 LIPID MAPS
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Registry Number Type Source
14940-92-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1001257 PubMed citation Europe PMC
10424250 PubMed citation Europe PMC
10561816 PubMed citation Europe PMC
17392137 PubMed citation Europe PMC
187416 PubMed citation Europe PMC
8077850 PubMed citation Europe PMC
9162758 PubMed citation Europe PMC
9749839 PubMed citation Europe PMC
Last Modified
15 November 2021