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

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ChEBI Name (8E,10E,12Z)-octadecatrienoic acid
ChEBI ID CHEBI:86148
ChEBI ASCII Name (8E,10E,12Z)-octadecatrienoic acid
Definition A conjugated linolenic acid having three double bonds located at positions 8, 10 and 12 (the 8E,10E,12Z-geoisomer)
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H30O2
Net Charge 0
Average Mass 278.42960
Monoisotopic Mass 278.225
InChI InChI=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+
InChIKey DQGMPXYVZZCNDQ-KBPWROHVSA-N
SMILES CCCCC\C=C/C=C/C=C/CCCCCCC(O)=O
Metabolite of Species Details
Calendula officinalis (NCBI:txid41496) See: PubMed
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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing (8E,10E,12Z)-octadecatrienoic acid (CHEBI:86148) has role plant metabolite (CHEBI:76924)
(8E,10E,12Z)-octadecatrienoic acid (CHEBI:86148) is a ω−6 fatty acid (CHEBI:36009)
(8E,10E,12Z)-octadecatrienoic acid (CHEBI:86148) is a conjugated linolenic acid (CHEBI:61160)
Incoming (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 Sources
8E,10E,12Z-octadecatrienoic acid LIPID MAPS
α-calendic acid LIPID MAPS
C18:3n-6,8,10 LIPID MAPS
Calendic acid ChemIDplus
Calendulic acid HMDB
trans-8, trans-10, cis-12-octadecatrienoic acid LIPID MAPS
Manual Xrefs Databases
Calendic_acid Wikipedia
CPD-8228 MetaCyc
HMDB0030962 HMDB
LMFA01030144 LIPID MAPS
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Registry Numbers Types Sources
1726537 Reaxys Registry Number Reaxys
5204-87-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10622705 PubMed citation Europe PMC
11067856 PubMed citation Europe PMC
23327299 PubMed citation Europe PMC
24035100 PubMed citation Europe PMC
6021179 PubMed citation Europe PMC
Last Modified
23 June 2015