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CHEBI:189994 - 16-phenyl tetranor Prostaglandin E1

ChEBI IDCHEBI:189994
ChEBI Name16-phenyl tetranor Prostaglandin E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESO=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1
InChIInChI=1S/C22H30O5/c23-17(14-16-8-4-3-5-9-16)12-13-19-18(20(24)15-21(19)25)10-6-1-2-7-11-22(26)27/h3-5,8-9,12-13,17-19,21,23,25H,1-2,6-7,10-11,14-15H2,(H,26,27)/b13-12+/t17-,18-,19-,21-/m1/s1
InChIKeyWDKPQDFHBMGHOW-ABXFKLLGSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
16-phenyl tetranor Prostaglandin E1 (CHEBI:189994) is a prostanoid (CHEBI:26347)
IUPAC Name 
7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxocyclopentyl]heptanoic acid
Manual XrefsDatabases
48063585ChemSpider