EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:75117 - (13Z,16Z)-docosadienoic acid

ChEBI IDCHEBI:75117
ChEBI Name(13Z,16Z)-docosadienoic acid
Stars
ASCII Name(13Z,16Z)-docosadienoic acid
DefinitionA docosadienoic acid having two cis-double bonds at position 13 and 16 respectively.
Last Modified24 March 2016
Submittermwilliams
DownloadsMolfile
FormulaC22H40O2
Net Charge0
Average Mass336.560
Monoisotopic Mass336.30283
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-
InChIKeyHVGRZDASOHMCSK-HZJYTTRNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(13Z,16Z)-docosadienoic acid (CHEBI:75117) has role metabolite (CHEBI:25212)
(13Z,16Z)-docosadienoic acid (CHEBI:75117) is a docosadienoic acid (CHEBI:75115)
(13Z,16Z)-docosadienoic acid (CHEBI:75117) is conjugate acid of (13Z,16Z)-docosadienoate (CHEBI:77806)
Incoming Relation(s)
1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89246) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89245) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
1-icosyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86450) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
1-octadecyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86444) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
(13Z,16Z)-docosadienoate (CHEBI:77806) is conjugate base of (13Z,16Z)-docosadienoic acid (CHEBI:75117)
IUPAC Name 
(13Z,16Z)-docosa-13,16-dienoic acid
Synonyms  Source
13Z,16Z-docosadienoic acidLIPID MAPS
C22:2n-6,9LIPID MAPS
cis-13,16 docosadienoic acidChEBI
(13Z,16Z)-Docosa-13,16-dienoic acidKEGG COMPOUND
Manual XrefsDatabases
LMFA01030405LIPID MAPS
C16533KEGG COMPOUND
Registry NumbersSources
Reaxys:1975535Reaxys