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CHEBI:183841 - 8-Isoprostaglandin E1

ChEBI IDCHEBI:183841
ChEBI Name8-Isoprostaglandin E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17+,19+/m0/s1
InChIKeyGMVPRGQOIOIIMI-JCPCGATGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
ChEBI Ontology
Outgoing Relation(s)
8-Isoprostaglandin E1 (CHEBI:183841) is a prostanoid (CHEBI:26347)
IUPAC Name 
7-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Manual XrefsDatabases
HMDB0004686HMDB
4446333ChemSpider
LMFA03110002LIPID MAPS
Registry NumbersSources
CAS:21003-46-3ChemIDplus