all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)

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CHEBI:32389 - all-cis-octadeca-6,9,12,15-tetraenoic acid

ChEBI ID	CHEBI:32389
ChEBI Name	all-cis-octadeca-6,9,12,15-tetraenoic acid
Stars
ASCII Name	all-cis-octadeca-6,9,12,15-tetraenoic acid
Definition	An octadecatetraenoic acid having four double bonds located at positions 6, 9, 12 and 15 (the all-cis-isomer). It has been isolated from Lithospermum officinale and fish oils.
Last Modified	27 January 2016
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C18H28O2
Net Charge	0
Average Mass	276.420
Monoisotopic Mass	276.20893
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O
InChI	InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
InChIKey	JIWBIWFOSCKQMA-LTKCOYKYSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
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)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Chemical Roles:

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

Biological Roles:

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Daphnia galeata metabolite A Daphnia metabolite produced by the species Daphnia galeata.

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

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)
	all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389) has role Daphnia galeata metabolite (CHEBI:83038)
	all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389) has role mouse metabolite (CHEBI:75771)
	all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389) has role plant metabolite (CHEBI:76924)
	all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389) is a long-chain fatty acid (CHEBI:15904)
	all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389) is a octadecatetraenoic acid (CHEBI:37810)
	all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389) is a ω−3 fatty acid (CHEBI:25681)
	all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389) is conjugate acid of (6Z,9Z,12Z,15Z)-octadecatetraenoate (CHEBI:77222)
Incoming Relation(s)
	(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA (CHEBI:63545) has functional parent all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
	(6Z,9Z,12Z,15Z)-octadecatetraenoyl-containing glycerolipid (CHEBI:90079) has functional parent all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
	1-[(6Z,9Z,12Z,15Z)-octadecatetraenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]- sn -glycerol (CHEBI:87246) has functional parent all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
	1-hexadecanoyl-2-[(6Z,9Z,12Z,15Z)-octadecatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86101) has functional parent all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
	1-octadecanoyl-2-[(6Z,9Z,12Z,15Z)-octadecatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86134) has functional parent all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
	ethyl stearidonate (CHEBI:84856) has functional parent all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
	stearidonoyl bioconjugate (CHEBI:76185) has functional parent all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
	(6Z,9Z,12Z,15Z)-octadecatetraenoate (CHEBI:77222) is conjugate base of all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
	(6Z,9Z,12Z,15Z)-octadecatetraenoyl group (CHEBI:85954) is substituent group from all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)

IUPAC Name
(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid

Synonyms	Source
6,9,12,15-Octadecatetraenoic acid	KEGG COMPOUND
(6Z,9Z,12Z,15Z)-Octadecatetraenoic acid	KEGG COMPOUND
SDA	ChEBI
stearidonic acid	ChEBI

Manual Xrefs	Databases
C00000405	KNApSAcK
C16300	KEGG COMPOUND
CA2827585	Patent
CPD-12653	MetaCyc
HMDB0006547	HMDB
KR20130045846	Patent
LMFA01030357	LIPID MAPS
Stearidonic_acid	Wikipedia

Registry Numbers	Sources
Reaxys:1712973	Reaxys
CAS:20290-75-9	ChemIDplus
CAS:20290-75-9	KEGG COMPOUND

Citations