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CHEBI:165300 - 11-Deoxy-16,16-dimethyl-PGE2

ChEBI IDCHEBI:165300
ChEBI Name11-Deoxy-16,16-dimethyl-PGE2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O4
Net Charge0
Average Mass364.526
Monoisotopic Mass364.26136
SMILESCCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=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/h6,8,13,15,17-18,20,24H,4-5,7,9-12,14,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1
InChIKeyLLVVDFDWPQHXBA-QEJIITRLSA-N
ChEBI Ontology
Outgoing Relation(s)
11-Deoxy-16,16-dimethyl-PGE2 (CHEBI:165300) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
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4446190ChemSpider
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