Clupadonic acid (CHEBI:193218)

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CHEBI:193218 - Clupadonic acid

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ChEBI ID	CHEBI:193218
ChEBI Name	Clupadonic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H34O2
Net Charge	0
Average Mass	330.512
Monoisotopic Mass	330.25588
SMILES	CC/C=C\CC/C=C\C/C=C\CC/C=C\CC/C=C\CCC(=O)O
InChI	InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,7-8,10-11,14-15,18-19H,2,5-6,9,12-13,16-17,20-21H2,1H3,(H,23,24)/b4-3-,8-7-,11-10-,15-14-,19-18-
InChIKey	PIFPCDRPHCQLSJ-SBFJRTJOSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS5335)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Clupadonic acid (CHEBI:193218) is a very long-chain fatty acid (CHEBI:27283)

IUPAC Name
(4Z,8Z,12Z,15Z,19Z)-docosa-4,8,12,15,19-pentaenoic acid

Manual Xrefs	Databases
113368495	ChemSpider
LMFA04000082	LIPID MAPS