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CHEBI:83031 - (2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoic acid

ChEBI IDCHEBI:83031
ChEBI Name(2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoic acid
Stars
ASCII Name(2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoic acid
DefinitionA polyunsaturated fatty acid that is icosanoic acid having unsaturation at positions 2, 5, 8, 11, 14 and 17. It has been found in Daphnia galeata.
Last Modified25 September 2014
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C(=O)O
InChIInChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyGGLBNABMJBBTJP-KUBAVDMBSA-N
Species of MetaboliteComponentSourceComments
Daphnia galeata (ncbitaxon:27404) - Article (Is the fatty acid composition of Daphnia galeata determined by the fatty acid composition of the ingested diet?Weers P.M.M., Siewertsen K., and Gulati R.D.Freshwater Biology (1997), 38, 731-738)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Daphnia galeata metabolite  A Daphnia metabolite produced by the species Daphnia galeata.
ChEBI Ontology
Outgoing Relation(s)
(2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoic acid (CHEBI:83031) has role Daphnia galeata metabolite (CHEBI:83038)
(2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoic acid (CHEBI:83031) is a long-chain fatty acid (CHEBI:15904)
(2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoic acid (CHEBI:83031) is a polyunsaturated fatty acid (CHEBI:26208)
(2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoic acid (CHEBI:83031) is a straight-chain fatty acid (CHEBI:59202)
IUPAC Name 
(2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoic acid