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CHEBI:86148 - (8E,10E,12Z)-octadecatrienoic acid

ChEBI IDCHEBI:86148
ChEBI Name(8E,10E,12Z)-octadecatrienoic acid
Stars
ASCII Name(8E,10E,12Z)-octadecatrienoic acid
DefinitionA conjugated linolenic acid having three double bonds located at positions 8, 10 and 12 (the 8E,10E,12Z-geoisomer)
Last Modified23 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILESCCCCC/C=C\C=C\C=C\CCCCCCC(=O)O
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10+
InChIKeyDQGMPXYVZZCNDQ-KBPWROHVSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Calendula officinalis (ncbitaxon:41496) - PubMed (23327299)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(8E,10E,12Z)-octadecatrienoic acid (CHEBI:86148) has role plant metabolite (CHEBI:76924)
(8E,10E,12Z)-octadecatrienoic acid (CHEBI:86148) is a conjugated linolenic acid (CHEBI:61160)
(8E,10E,12Z)-octadecatrienoic acid (CHEBI:86148) is a ω−6 fatty acid (CHEBI:36009)
Incoming Relation(s)
(8E,10E,12Z)-octadecatrienoyl-containing glycerolipid (CHEBI:88257) has functional parent (8E,10E,12Z)-octadecatrienoic acid (CHEBI:86148)
(8E,10E,12Z)-octadecatrienoyl group (CHEBI:86118) is substituent group from (8E,10E,12Z)-octadecatrienoic acid (CHEBI:86148)
IUPAC Name 
(8E,10E,12Z)-octadeca-8,10,12-trienoic acid
Synonyms  Source
α-calendic acidLIPID MAPS
C18:3n-6,8,10LIPID MAPS
trans-8, trans-10, cis-12-octadecatrienoic acidLIPID MAPS
8E,10E,12Z-octadecatrienoic acidLIPID MAPS
Calendic acidChemIDplus
Calendulic acidHMDB
Manual XrefsDatabases
LMFA01030144LIPID MAPS
CPD-8228MetaCyc
HMDB0030962HMDB
Calendic_acidWikipedia
Registry NumbersSources
Reaxys:1726537Reaxys
CAS:5204-87-5ChemIDplus
Citations