16,16-dimethyl-PGA1 (CHEBI:156175)

CHEBI:156175 - 16,16-dimethyl-PGA1

Formula	C22H36O4
Net Charge	0
Average Mass	364.526
Monoisotopic Mass	364.26136
SMILES	CCCCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O
InChI	InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h12-15,17-18,20,24H,4-11,16H2,1-3H3,(H,25,26)/b15-13+/t17-,18-,20-/m1/s1
InChIKey	CTQQHQGBBMYJPT-DZFVFWAGSA-N

ChEBI Ontology

Outgoing Relation(s)
	16,16-dimethyl-PGA1 (CHEBI:156175) is a prostanoid (CHEBI:26347)

IUPAC Name
7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid

Manual Xrefs	Databases
LMFA03010085	LIPID MAPS