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CHEBI:53460 - all-cis-icosa-11,14,17-trienoic acid

Default Structure
ChEBI IDCHEBI:53460
ChEBI Nameall-cis-icosa-11,14,17-trienoic acid
Stars
ASCII Nameall-cis-icosa-11,14,17-trienoic acid
DefinitionAn icosatrienoic acid having three cis- double bonds at positions 11, 14 and 17.
Last Modified20 February 2020
Submittersjupe
DownloadsMolfile
FormulaC20H34O2
Net Charge0
Average Mass306.490
Monoisotopic Mass306.25588
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
InChIKeyAHANXAKGNAKFSK-PDBXOOCHSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460) is a fatty acid 20:3 (CHEBI:36036)
all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460) is a ω−3 fatty acid (CHEBI:25681)
all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460) is conjugate acid of (11Z,14Z,17Z)-icosatrienoate (CHEBI:77223)
Incoming Relation(s)
(11Z,14Z,17Z)-icosatrienamide (CHEBI:146164) has functional parent all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
(11Z,14Z,17Z)-icosatrienoyl-CoA (CHEBI:74606) has functional parent all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
(11Z,14Z,17Z)-icosatrienoyl-containing glycerolipid (CHEBI:88253) has functional parent all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86416) has functional parent all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
cholesteryl (11Z,14Z,17Z)-icosatrienoate (CHEBI:137412) has functional parent all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
(11Z,14Z,17Z)-icosatrienoate (CHEBI:77223) is conjugate base of all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
(11Z,14Z,17Z)-icosatrienoyl group (CHEBI:87030) is substituent group from all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
IUPAC Name 
(11Z,14Z,17Z)-icosa-11,14,17-trienoic acid
Synonyms  Source
11,14,17-Eicosatrienoic acidKEGG COMPOUND
11,14,17-Icosatrienoic acidKEGG COMPOUND
11c,14c,17c-eicosatrienoic acidChEBI
11c,14c,17c-EicosatriensäureChEBI
(11Z,14Z,17Z)-Eicosa-11,14,17-trienoic acidKEGG COMPOUND
(11Z,14Z,17Z)-Icosa-11,14,17-trienoic acidKEGG COMPOUND
Manual XrefsDatabases
C16522KEGG COMPOUND
HMDB0060039HMDB
LMFA01030378LIPID MAPS
Registry NumbersSources
Reaxys:2458494Reaxys
CAS:17046-59-2ChemIDplus
CAS:17046-59-2KEGG COMPOUND
Citations