CHEBI:183965 - 11-deoxy-16,16-dimethylprostaglandin e2

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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-dimethylprostaglandin e2
ChEBI ID CHEBI:183965
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-PMOPTMIRSA-N
SMILES OC(C(CCCC)(C)C)\C=C\[C@@H]1C(C(=O)CC1)C/C=C\CCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 11-deoxy-16,16-dimethylprostaglandin e2 (CHEBI:183965) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(2R)-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Manual Xref Database
21467033 ChemSpider
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