(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218)

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CHEBI:91218 - (10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid

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ChEBI ID	CHEBI:91218
ChEBI Name	(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid
Stars
ASCII Name	(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid
Definition	A octadecanoid that is (10E,15Z)-octadecadienoic acid carrying three hydroxy substituents at positions 9, 12 and 13.
Last Modified	5 March 2018
Submitter	mwilliams
Downloads	Molfile

Formula	C18H32O5
Net Charge	0
Average Mass	328.449
Monoisotopic Mass	328.22497
SMILES	CC/C=C\CC(O)C(O)/C=C/C(O)CCCCCCCC(=O)O
InChI	InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+
InChIKey	MKYUCBXUUSZMQB-MKZMYESJSA-N

Species of Metabolite	Component	Source	Comments
Arabidopsis thaliana (ncbitaxon:3702)
	root (BTO:0001188)	PubMed (25457500)
	root (BTO:0001188)	MetaboLights (MTBLS160)
Corchorus olitorius (ncbitaxon:93759)	leaf (BTO:0000713)	PubMed (9658577)
Malva sylvestris (ncbitaxon:145754)	-	PubMed (19731587)

Roles Classification

Chemical Roles:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

ChEBI Ontology

Outgoing Relation(s)
	(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) has role antifungal agent (CHEBI:35718)
	(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) has role antioxidant (CHEBI:22586)
	(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) has role plant metabolite (CHEBI:76924)
	(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
	(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) is a long-chain fatty acid (CHEBI:15904)
	(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) is a octadecanoid (CHEBI:36326)
	(10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) is a oxylipin (CHEBI:61121)

IUPAC Name
(10E,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid

Synonyms	Source
9,12,13-trihydroxy-10(E),15(Z)-octadecadienoic acid	ChEBI
Corchorifatty acid F	LIPID MAPS

Manual Xrefs	Databases
HMDB0035919	HMDB

Registry Numbers	Sources
Reaxys:2287207	Reaxys
CAS:95341-44-9	HMDB

Citations