CHEBI:131888 - 8-epi-prostaglandin E2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-epi-prostaglandin E2
ChEBI ID CHEBI:131888
ChEBI ASCII Name 8-epi-prostaglandin E2
Definition A prostanoid that is prostaglandin E2 having inverted stereochemistry at the 8-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000015111010
Download Molfile XML SDF
Formula C20H32O5
Net Charge 0
Average Mass 352.466
Monoisotopic Mass 352.22497
InChI InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19+/m0/s1
InChIKey XEYBRNLFEZDVAW-CLQOMRTCSA-N
SMILES C(\[C@H]1[C@@H](CC([C@H]1C/C=C\CCCC(O)=O)=O)O)=C/[C@H](CCCCC)O
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application(s): bronchoconstrictor agent
A drug which causes a narrowing of the lumen of a bronchus or bronchiole.
vasoconstrictor agent
Drug used to cause constriction of the blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8-epi-prostaglandin E2 (CHEBI:131888) has functional parent prostaglandin E2 (CHEBI:15551)
8-epi-prostaglandin E2 (CHEBI:131888) has role bronchoconstrictor agent (CHEBI:50141)
8-epi-prostaglandin E2 (CHEBI:131888) has role human metabolite (CHEBI:77746)
8-epi-prostaglandin E2 (CHEBI:131888) has role rat metabolite (CHEBI:86264)
8-epi-prostaglandin E2 (CHEBI:131888) has role vasoconstrictor agent (CHEBI:50514)
8-epi-prostaglandin E2 (CHEBI:131888) is a cyclic ketone (CHEBI:3992)
8-epi-prostaglandin E2 (CHEBI:131888) is a diol (CHEBI:23824)
8-epi-prostaglandin E2 (CHEBI:131888) is a prostanoid (CHEBI:26347)
8-epi-prostaglandin E2 (CHEBI:131888) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(5Z,8β,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
Synonyms Sources
7-[3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl]-5-heptenoic acid HMDB
8-epi-PGE2 ChEBI
8-iso-PGE2 ChEBI
8-isoprostaglandin E2 ChEBI
Manual Xrefs Databases
4446334 ChemSpider
HMDB0005844 HMDB
LMFA03110003 LIPID MAPS
View more database links
Registry Numbers Types Sources
27415-25-4 CAS Registry Number ChemIDplus
4709355 Reaxys Registry Number Reaxys
Citations
Last Modified
06 December 2016