4,7,10,13,16,19-Docosahexaynoic acid (CHEBI:168458)

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CHEBI:168458 - 4,7,10,13,16,19-Docosahexaynoic acid

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ChEBI ID	CHEBI:168458
ChEBI Name	4,7,10,13,16,19-Docosahexaynoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H20O2
Net Charge	0
Average Mass	316.400
Monoisotopic Mass	316.14633
SMILES	CCC#CCC#CCC#CCC#CCC#CCC#CCCC(=O)O
InChI	InChI=1S/C22H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2,5,8,11,14,17,20-21H2,1H3,(H,23,24)
InChIKey	OYADDSIRDBGZMY-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	4,7,10,13,16,19-Docosahexaynoic acid (CHEBI:168458) is a very long-chain fatty acid (CHEBI:27283)

IUPAC Name
docosa-4,7,10,13,16,19-hexaynoic acid

Manual Xrefs	Databases
LMFA01030677	LIPID MAPS
7822542	ChemSpider