EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193542 - 17-phenoxy trinor Prostaglandin F2alpha isopropyl ester

ChEBI IDCHEBI:193542
ChEBI Name17-phenoxy trinor Prostaglandin F2alpha isopropyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O6
Net Charge0
Average Mass448.600
Monoisotopic Mass448.28249
SMILESCC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCOc2ccccc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C26H40O6/c1-19(2)32-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)15-14-20(27)16-17-31-21-10-6-5-7-11-21/h3,5-8,10-11,19-20,22-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t20-,22-,23-,24+,25-/m1/s1
InChIKeySMLIPMZXFVFCKX-XJEZHJKASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
17-phenoxy trinor Prostaglandin F2alpha isopropyl ester (CHEBI:193542) is a prostanoid (CHEBI:26347)
IUPAC Name 
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenoxypentyl]cyclopentyl]hept-5-enoate
Manual XrefsDatabases
32055545ChemSpider