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CHEBI:189980 - 8-iso-16-cyclohexyl-tetranor Prostaglandin E2

ChEBI IDCHEBI:189980
ChEBI Name8-iso-16-cyclohexyl-tetranor Prostaglandin E2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESO=C(O)CCC/C=C\C[C@@H]1C(=O)CC(=O)[C@@H]1CC[C@@H](O)CC1CCCCC1
InChIInChI=1S/C22H34O5/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/h1,6,16-19,23H,2-5,7-15H2,(H,26,27)/b6-1-/t17-,18+,19-/m1/s1
InChIKeyPIPQNTASWLMKSF-BYOMGRGRSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
8-iso-16-cyclohexyl-tetranor Prostaglandin E2 (CHEBI:189980) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1S,2R)-2-[(3R)-4-cyclohexyl-3-hydroxybutyl]-3,5-dioxocyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
32814863ChemSpider