12-Hydroperoxy-icosatetraenoic acid (CHEBI:231095)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231095 - 12-Hydroperoxy-icosatetraenoic acid

Take structure to advanced search

ChEBI ID	CHEBI:231095
ChEBI Name	12-Hydroperoxy-icosatetraenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H32O4
Net Charge	0
Average Mass	336.472
Monoisotopic Mass	336.23006
SMILES	CCCCCCCCC(CC/C=C/C=C/C=C/C=C/C(=O)O)OO
InChI	InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h6-9,11-12,15,18-19,23H,2-5,10,13-14,16-17H2,1H3,(H,21,22)/b7-6+,11-8+,12-9+,18-15+
InChIKey	XCPNMPKPSWOLJW-ODWCVSANSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	12-Hydroperoxy-icosatetraenoic acid (CHEBI:231095) is a hydroperoxy fatty acid (CHEBI:64009)

IUPAC Name
(2E,4E,6E,8E)-12-hydroperoxyicosa-2,4,6,8-tetraenoic acid

Manual Xrefs	Databases
10798777	ChemSpider