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

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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 11-Deoxy-16,16-dimethyl-PGE2
ChEBI ID CHEBI:165300
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
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/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
InChIKey LLVVDFDWPQHXBA-QEJIITRLSA-N
SMILES O[C@@H](C(CCCC)(C)C)\C=C\[C@@H]1[C@H](C(=O)CC1)C/C=C\CCCC(O)=O
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
4446190 ChemSpider
LMFA03010062 LIPID MAPS
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