CHEBI:606564 - prostaglandin E2(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name prostaglandin E2(1−)
ChEBI ID CHEBI:606564
ChEBI ASCII Name prostaglandin E2(1-)
Definition The conjugate base of prostaglandin E2; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C20H31O5
Net Charge -1
Average Mass 351.45710
Monoisotopic Mass 351.21770
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)/p-1/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChIKey XEYBRNLFEZDVAW-ARSRFYASSA-M
SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application(s): oxytocic
A drug that stimulates contraction of the myometrium. Oxytocics are used to induce labour, obstetric at term, to prevent or control postpartum or postabortion haemorrhage, and to assess foetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (abortifacients).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing prostaglandin E2(1−) (CHEBI:606564) has role human metabolite (CHEBI:77746)
prostaglandin E2(1−) (CHEBI:606564) has role oxytocic (CHEBI:36063)
prostaglandin E2(1−) (CHEBI:606564) is a prostaglandin carboxylic acid anion (CHEBI:59326)
prostaglandin E2(1−) (CHEBI:606564) is conjugate base of prostaglandin E2 (CHEBI:15551)
Incoming 20-hydroxyprostaglandin E2(1−) (CHEBI:136653) has functional parent prostaglandin E2(1−) (CHEBI:606564)
prostaglandin E2 (CHEBI:15551) is conjugate acid of prostaglandin E2(1−) (CHEBI:606564)
IUPAC Name
(5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate
Synonyms Sources
prostaglandin E2 UniProt
prostaglandin E2 anion ChEBI
Manual Xref Database
5Z13E-15S-1115-DIHYDROXY-9-OXOPROS MetaCyc
View more database links
Registry Number Type Source
8364130 Beilstein Registry Number Beilstein
Last Modified
09 June 2021