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CHEBI:178528 - 16,16-dimethyl-PGA2

ChEBI IDCHEBI:178528
ChEBI Name16,16-dimethyl-PGA2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCCCCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C22H34O4/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/h6,8,12-15,17-18,20,24H,4-5,7,9-11,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1
InChIKeyMOTPSJUHMGPRFZ-QEJIITRLSA-N
ChEBI Ontology
Outgoing Relation(s)
16,16-dimethyl-PGA2 (CHEBI:178528) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
Manual XrefsDatabases
4446209ChemSpider
LMFA03010086LIPID MAPS
Registry NumbersSources
CAS:41691-92-3ChemIDplus