CHEBI:183841 - 8-Isoprostaglandin E1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8-Isoprostaglandin E1
ChEBI ID CHEBI:183841
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O5
Net Charge 0
Average Mass 354.487
Monoisotopic Mass 354.24062
InChI InChI=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
InChIKey GMVPRGQOIOIIMI-JCPCGATGSA-N
SMILES O[C@H]1[C@@H]([C@H](CCCCCCC(O)=O)C(=O)C1)/C=C/[C@@H](O)CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). of strain C57BL [EFO:0005181] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4446333 ChemSpider
HMDB0004686 HMDB
LMFA03110002 LIPID MAPS
View more database links
Registry Number Type Source
21003-46-3 CAS Registry Number ChemIDplus