CHEBI:185727 - 18-acetoxy-PGF2alpha-11-acetate methyl ester

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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 18-acetoxy-PGF2alpha-11-acetate methyl ester
ChEBI ID CHEBI:185727
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H40O8
Net Charge 0
Average Mass 468.587
Monoisotopic Mass 468.27232
InChI InChI=1S/C25H40O8/c1-5-20(32-17(2)26)14-12-19(28)13-15-22-21(23(29)16-24(22)33-18(3)27)10-8-6-7-9-11-25(30)31-4/h6,8,13,15,19-24,28-29H,5,7,9-12,14,16H2,1-4H3/b8-6-,15-13+/t19-,20?,21+,22+,23-,24+/m0/s1
InChIKey DILYBEDJTMAIIY-IJALTSKHSA-N
SMILES O([C@H]1[C@@H]([C@H]([C@@H](O)C1)C/C=C\CCCC(OC)=O)/C=C/[C@@H](O)CCC(OC(=O)C)CC)C(=O)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 18-acetoxy-PGF2alpha-11-acetate methyl ester (CHEBI:185727) is a prostanoid (CHEBI:26347)
IUPAC Name
methyl (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-2-[(E,3S)-6-acetyloxy-3-hydroxyoct-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate
Manual Xrefs Databases
4446217 ChemSpider
LMFA03010099 LIPID MAPS
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