CHEBI:32428 - cetoleic acid

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ChEBI Name cetoleic acid ChEBI ID CHEBI:32428 Definition A docosenoic acid having a cis-double bond at position 11. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB91235732, ZINC000032788451 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H42O2 Net Charge 0 Average Mass 338.56770 Monoisotopic Mass 338.31848 InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11- InChIKey KJDZDTDNIULJBE-QXMHVHEDSA-N SMILES CCCCCCCCCC\C=C/CCCCCCCCCC(O)=O Metabolite of Species Details Daphnia tenebrosa (NCBI:txid521141) See: Trophic transfer and trophic modification of fatty acids in high Arctic lakesHessen D., Liu E.Freshwater Biology (2006) 51, 1987-1998 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): Daphnia tenebrosa metabolite A Daphnia metabolite produced by the species Daphnia tenebrosa. View more via ChEBI Ontology ChEBI Ontology Outgoing cetoleic acid (CHEBI:32428) has role Daphnia tenebrosa metabolite (CHEBI:83146) cetoleic acid (CHEBI:32428) is a docosenoic acid (CHEBI:36031) cetoleic acid (CHEBI:32428) is conjugate acid of cetoleate (CHEBI:32429) Incoming 1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86449) has functional parent cetoleic acid (CHEBI:32428) 1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86443) has functional parent cetoleic acid (CHEBI:32428) ethyl (11Z)-docosenoate (CHEBI:84888) has functional parent cetoleic acid (CHEBI:32428) cetoleate (CHEBI:32429) is conjugate base of cetoleic acid (CHEBI:32428) cetoleoyl group (CHEBI:32430) is substituent group from cetoleic acid (CHEBI:32428) IUPAC Name (11Z)-docos-11-enoic acid Synonyms Sources (Z)-11-docosenoic acid ChemIDplus (Z)-docos-11-enoic acid ChEBI 22:1, n-11 cis ChEBI C22:1, n-11 cis ChEBI Cetoleinsäure ChEBI cis-11-docosenoic acid ChEBI cis-Δ11-docosenoic acid ChEBI cis-docos-11-enoic acid ChEBI docos-11c-enoic acid ChEBI Docos-11c-ensäure ChEBI Manual Xrefs Databases HMDB0002884 HMDB LMFA01030088 LIPID MAPS View more database links Registry Numbers Types Sources 1002-96-6 CAS Registry Number ChemIDplus 1728046 Reaxys Registry Number Reaxys Citations Last Modified 13 July 2015