CHEBI:186965 - 16,16-dimethyl-PGE1

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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-PGE1
ChEBI ID CHEBI:186965
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H38O5
Net Charge 0
Average Mass 382.541
Monoisotopic Mass 382.27192
InChI InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h12-13,16-17,19-20,24-25H,4-11,14-15H2,1-3H3,(H,26,27)/b13-12+/t16-,17-,19-,20-/m1/s1
InChIKey RQOFITYRYPQNLL-ZWSAOQBFSA-N
SMILES O[C@H]1[C@@H]([C@@H](CCCCCCC(O)=O)C(=O)C1)/C=C/[C@@H](O)C(CCCC)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 16,16-dimethyl-PGE1 (CHEBI:186965) is a prostanoid (CHEBI:26347)
IUPAC Name
7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Manual Xrefs Databases
4446185 ChemSpider
LMFA03010057 LIPID MAPS
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Registry Number Type Source
41692-15-3 CAS Registry Number ChemIDplus