27:3(5Z,9Z,20Z) (CHEBI:186867)

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CHEBI:186867 - 27:3(5Z,9Z,20Z)

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ChEBI ID	CHEBI:186867
ChEBI Name	27:3(5Z,9Z,20Z)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H48O2
Net Charge	0
Average Mass	404.679
Monoisotopic Mass	404.36543
SMILES	CCCCCC/C=C\CCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChI	InChI=1S/C27H48O2/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/h7-8,18-19,22-23H,2-6,9-17,20-21,24-26H2,1H3,(H,28,29)/b8-7-,19-18-,23-22-
InChIKey	DISUUZKGYKJRIF-RMOJKJCGSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	27:3(5Z,9Z,20Z) (CHEBI:186867) is a very long-chain fatty acid (CHEBI:27283)

IUPAC Name
(5Z,9Z,20Z)-heptacosa-5,9,20-trienoic acid

Manual Xrefs	Databases
113368191	ChemSpider
LMFA01030903	LIPID MAPS