13,14-Dihydro-15-keto Prostaglandin J2 (CHEBI:177392)

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CHEBI:177392 - 13,14-Dihydro-15-keto Prostaglandin J2

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ChEBI ID	CHEBI:177392
ChEBI Name	13,14-Dihydro-15-keto Prostaglandin J2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H30O4
Net Charge	0
Average Mass	334.456
Monoisotopic Mass	334.21441
SMILES	CCCCCC(=O)CC[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O
InChI	InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,15-16,18H,2-3,5-6,8-11,13-14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1
InChIKey	GCYWVCQBMLYQGZ-BFVRRIQPSA-N

Species of Metabolite	Component	Source	Comments
Sus scrofa (ncbitaxon:9823)	Sausage (ENVO:00002166)	MetaboLights (MTBLS2871)

ChEBI Ontology

Outgoing Relation(s)
	13,14-Dihydro-15-keto Prostaglandin J2 (CHEBI:177392) is a prostanoid (CHEBI:26347)

IUPAC Name
(Z)-7-[(1S,5R)-4-oxo-5-(3-oxooctyl)cyclopent-2-en-1-yl]hept-5-enoic acid

Manual Xrefs	Databases
29341657	ChemSpider