CHEBI:183854 - 13,14-dihydro-16,16-difluoro Prostaglandin F2alpha

ChEBI IDCHEBI:183854
ChEBI Name13,14-dihydro-16,16-difluoro Prostaglandin F2alpha
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34F2O5
Net Charge0
Average Mass392.483
Monoisotopic Mass392.23743
SMILESCCCCC(F)(F)[C@H](O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H34F2O5/c1-2-3-12-20(21,22)18(25)11-10-15-14(16(23)13-17(15)24)8-6-4-5-7-9-19(26)27/h4,6,14-18,23-25H,2-3,5,7-13H2,1H3,(H,26,27)/b6-4-/t14-,15-,16+,17-,18-/m1/s1
InChIKeyVKXDPYJGORHMKW-PMDATTJOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
13,14-dihydro-16,16-difluoro Prostaglandin F2alpha (CHEBI:183854) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R,3R,5S)-2-[(3R)-4,4-diluoro-3-hydroxyoctyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
29342046ChemSpider