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

ChEBI IDCHEBI:185727
ChEBI Name18-acetoxy-PGF2alpha-11-acetate methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O8
Net Charge0
Average Mass468.587
Monoisotopic Mass468.27232
SMILESCCC(CC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]1OC(C)=O)OC(C)=O
InChIInChI=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
InChIKeyDILYBEDJTMAIIY-IJALTSKHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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
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