Athanacalvic acid (CHEBI:168365)

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CHEBI:168365 - Athanacalvic acid

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ChEBI ID	CHEBI:168365
ChEBI Name	Athanacalvic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O3
Net Charge	0
Average Mass	290.403
Monoisotopic Mass	290.18819
SMILES	C/C=C\C=C\C#CC/C=C(\O)CCCCCCCC(=O)O
InChI	InChI=1S/C18H26O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h2-5,14,19H,7,9-13,15-16H2,1H3,(H,20,21)/b3-2-,5-4+,17-14-
InChIKey	ZEUJRMMYGFFECR-XXSBLCDOSA-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)
	Athanacalvic acid (CHEBI:168365) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(9Z,14E,16Z)-9-hydroxyoctadeca-9,14,16-trien-12-ynoic acid

Manual Xrefs	Databases
LMFA01031032	LIPID MAPS