EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:32409 - (9Z,11E,13E,15Z)-octadecatetraenoic acid

ChEBI IDCHEBI:32409
ChEBI Name(9Z,11E,13E,15Z)-octadecatetraenoic acid
Stars
ASCII Name(9Z,11E,13E,15Z)-octadecatetraenoic acid
DefinitionThe (9Z,11E,13E,15Z)-isomer of parinaric acid.
Last Modified23 June 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H28O2
Net Charge0
Average Mass276.420
Monoisotopic Mass276.20893
SMILESCC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+,10-9-
InChIKeyIJTNSXPMYKJZPR-ZSCYQOFPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9Z,11E,13E,15Z)-octadecatetraenoic acid (CHEBI:32409) is a parinaric acid (CHEBI:32408)
(9Z,11E,13E,15Z)-octadecatetraenoic acid (CHEBI:32409) is conjugate acid of cis-parinarate (CHEBI:32414)
Incoming Relation(s)
(9Z,11E,13E,15Z)-octadecatetraenoyl-containing glycerolipid (CHEBI:88251) has functional parent (9Z,11E,13E,15Z)-octadecatetraenoic acid (CHEBI:32409)
cis-parinarate (CHEBI:32414) is conjugate base of (9Z,11E,13E,15Z)-octadecatetraenoic acid (CHEBI:32409)
(9Z,11E,13E,15Z)-octadecatetraenoyl group (CHEBI:86025) is substituent group from (9Z,11E,13E,15Z)-octadecatetraenoic acid (CHEBI:32409)
IUPAC Name 
(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoic acid
Synonyms  Source
α-parinaric acidChEBI
octadeca-9c,11t,13t,15c-tetraenoic acidChEBI
α-ParinarinsäureChEBI
cis-9,trans-11,trans-13,cis-15-OctadecatetraensäureChEBI
alpha-parinaric acidChEBI
Octadeca-9c,11t,13t,15c-tetraensäureChEBI
Manual XrefsDatabases
LMFA01030170LIPID MAPS
Registry NumbersSources
Reaxys:1726556Reaxys
Citations