CHEBI:156175 - 16,16-dimethyl-PGA1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 16,16-dimethyl-PGA1
ChEBI ID CHEBI:156175
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C22H36O4
Net Charge 0
Average Mass 364.526
Monoisotopic Mass 364.26136
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
SMILES O[C@@H](C(CCCC)(C)C)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)C(=O)C=C1
ChEBI Ontology
Outgoing 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 Xref Database
LMFA03010085 LIPID MAPS
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