28:2(9Z,21Z) (CHEBI:168514)

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CHEBI:168514 - 28:2(9Z,21Z)

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ChEBI ID	CHEBI:168514
ChEBI Name	28:2(9Z,21Z)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H52O2
Net Charge	0
Average Mass	420.722
Monoisotopic Mass	420.39673
SMILES	CCCCCC/C=C\CCCCCCCCCC/C=C\CCCCCCCC(=O)O
InChI	InChI=1S/C28H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h7-8,19-20H,2-6,9-18,21-27H2,1H3,(H,29,30)/b8-7-,20-19-
InChIKey	YTXNXYICWVEHLL-BEKHICDCSA-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)
	28:2(9Z,21Z) (CHEBI:168514) is a very long-chain fatty acid (CHEBI:27283)

IUPAC Name
(9Z,21Z)-octacosa-9,21-dienoic acid

Manual Xrefs	Databases
LMFA01030877	LIPID MAPS