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CHEBI:140932 - 11β-PGE2

ChEBI IDCHEBI:140932
ChEBI Name11β-PGE2
Stars
ASCII Name11beta-PGE2
DefinitionA prostanoid that is the C-11 epimer of PGE2.
Secondary ChEBI IDCHEBI:89581
Last Modified18 October 2024
Submittermwilliams
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
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)/b7-4-,13-12+/t15-,16+,17+,19-/m0/s1
InChIKeyXEYBRNLFEZDVAW-YUOXZBOXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000118) PubMed (20671299)
Mus musculus (ncbitaxon:10090) lung (BTO:0000763) PubMed (23662178)
Rattus norvegicus (ncbitaxon:10116) lung (BTO:0000763) PubMed (23662178)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
11β-PGE2 (CHEBI:140932) has role human metabolite (CHEBI:77746)
11β-PGE2 (CHEBI:140932) has role mouse metabolite (CHEBI:75771)
11β-PGE2 (CHEBI:140932) has role rat metabolite (CHEBI:86264)
11β-PGE2 (CHEBI:140932) is a cyclic ketone (CHEBI:3992)
11β-PGE2 (CHEBI:140932) is a diol (CHEBI:23824)
11β-PGE2 (CHEBI:140932) is a hydroxy monocarboxylic acid (CHEBI:35868)
11β-PGE2 (CHEBI:140932) is a prostanoid (CHEBI:26347)
11β-PGE2 (CHEBI:140932) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(5Z,13E,15S)-11β,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
Synonyms  Source
11-epi-prostaglandin E2ChEBI
(5Z,13E,15S)-11β,15-dihydroxy-9-oxo-5,13-prostadiene-1-oic acidChEBI
(5Z,13E,15S)-9-oxo-11β,15-dihydroxyprosta-5,13-diene-1-oic acidChEBI
11beta-PGE2LIPID MAPS
11β-prostaglandin E2ChEBI
11-epi PGE2ChEBI
Manual XrefsDatabases
LMFA03010060LIPID MAPS
HMDB0060041HMDB
Registry NumbersSources
CAS:38310-90-6ChEBI
Citations