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

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ChEBI Name 13,14-dihydro-15-oxoprostaglandin E1
ChEBI ID CHEBI:134499
ChEBI ASCII Name 13,14-dihydro-15-oxoprostaglandin E1
Definition A prostaglandin E obtained by formal oxidation of the 15-hydroxy group and hydrogenation of the 13,14-double bond of prostaglandin E1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB3395075
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Formula C20H34O5
Net Charge 0
Average Mass 354.482
Monoisotopic Mass 354.24062
InChI InChI=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
InChIKey CDUVSQMTLOYKTR-ZHALLVOQSA-N
SMILES C(CCCCCC[C@H]1C(C[C@H]([C@@H]1CCC(CCCCC)=O)O)=O)(O)=O
Metabolite of Species Details
Homo Sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 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 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 Sources
13,14-Dihydro-15-keto-PGE1 ChemIDplus
13,14-Dihydro-15-ketoprostaglandin E1 ChemIDplus
13,14-dihydro-15-oxo-PGE1 ChEBI
13,14-dihydro-15-oxo-prostaglandin E1 ChEBI
15-Keto-13,14-dihydro-PGE1 ChemIDplus
U 21002 ChEBI
Registry Numbers Types Sources
3004655 Reaxys Registry Number Reaxys
5094-14-4 CAS Registry Number ChemIDplus
Citations
Last Modified
10 February 2017