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CHEBI:134499 - 13,14-dihydro-15-oxoprostaglandin E1

ChEBI IDCHEBI:134499
ChEBI Name13,14-dihydro-15-oxoprostaglandin E1
Stars
ASCII Name13,14-dihydro-15-oxoprostaglandin E1
DefinitionA prostaglandin E obtained by formal oxidation of the 15-hydroxy group and hydrogenation of the 13,14-double bond of prostaglandin E1.
Last Modified10 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILESCCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
InChIInChI=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/h16-17,19,23H,2-14H2,1H3,(H,24,25)/t16-,17-,19-/m1/s1
InChIKeyCDUVSQMTLOYKTR-ZHALLVOQSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (1589447)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
13,14-dihydro-15-oxoprostaglandin E1 (CHEBI:134499) has functional parent prostaglandin E1 (CHEBI:15544)
13,14-dihydro-15-oxoprostaglandin E1 (CHEBI:134499) has role human xenobiotic metabolite (CHEBI:76967)
13,14-dihydro-15-oxoprostaglandin E1 (CHEBI:134499) is a prostaglandins E (CHEBI:26338)
13,14-dihydro-15-oxoprostaglandin E1 (CHEBI:134499) is conjugate acid of 13,14-dihydro-15-oxoprostaglandin E1(1−) (CHEBI:133408)
Incoming Relation(s)
13,14-dihydro-15-oxoprostaglandin E1(1−) (CHEBI:133408) is conjugate base of 13,14-dihydro-15-oxoprostaglandin E1 (CHEBI:134499)
IUPAC Name 
(11α)-11-hydroxy-9,15-dioxoprostan-1-oic acid
Synonyms  Source
13,14-dihydro-15-oxo-PGE1ChEBI
13,14-dihydro-15-oxo-prostaglandin E1ChEBI
13,14-Dihydro-15-ketoprostaglandin E1ChemIDplus
13,14-Dihydro-15-keto-PGE1ChemIDplus
15-Keto-13,14-dihydro-PGE1ChemIDplus
U 21002ChEBI
Registry NumbersSources
Reaxys:3004655Reaxys
CAS:5094-14-4ChemIDplus
Citations