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CHEBI:606564 - prostaglandin E2(1−)

ChEBI IDCHEBI:606564
ChEBI Nameprostaglandin E2(1−)
Stars
ASCII Nameprostaglandin E2(1-)
DefinitionThe conjugate base of prostaglandin E2; major species at pH 7.3.
Last Modified9 June 2021
DownloadsMolfile
FormulaC20H31O5
Net Charge-1
Average Mass351.463
Monoisotopic Mass351.21770
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]
InChIInChI=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
InChIKeyXEYBRNLFEZDVAW-ARSRFYASSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
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).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
prostaglandin E2 anionChEBI
UniProt Name  Source
prostaglandin E2UniProt
Manual XrefsDatabases
5Z13E-15S-1115-DIHYDROXY-9-OXOPROSMetaCyc
Registry NumbersSources
Beilstein:8364130Beilstein