Oxo-octadecadienoic acid (CHEBI:178211)

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CHEBI:178211 - Oxo-octadecadienoic acid

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ChEBI ID	CHEBI:178211
ChEBI Name	Oxo-octadecadienoic acid
Stars
Last Modified	23 February 2022
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H30O3
Net Charge	0
Average Mass	294.435
Monoisotopic Mass	294.21949
SMILES	CCCCCCCCCCCCC(=O)C=CC=CC(=O)O
InChI	InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h12-13,15-16H,2-11,14H2,1H3,(H,20,21)
InChIKey	IDEOITKGHXRKLG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	cervical mucus (BTO:0000242)	Article

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Oxo-octadecadienoic acid (CHEBI:178211) is a octadecanoid (CHEBI:36326)
	Oxo-octadecadienoic acid (CHEBI:178211) is a oxo fatty acid (CHEBI:59644)

IUPAC Name
6-oxooctadeca-2,4-dienoic acid

Manual Xrefs	Databases
57552917	ChemSpider