6-oxoprostaglandin E1 (CHEBI:28269)

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CHEBI:28269 - 6-oxoprostaglandin E₁

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ChEBI ID	CHEBI:28269
ChEBI Name	6-oxoprostaglandin E₁
Stars
ASCII Name	6-oxoprostaglandin E1
Definition	A prostaglandin E that is prostaglandin E₁ bearing a keto substituent at the 6-position.
Secondary ChEBI IDs	CHEBI:2204, CHEBI:20735
Last Modified	9 May 2017
Downloads	Molfile

Formula	C20H32O6
Net Charge	0
Average Mass	368.470
Monoisotopic Mass	368.21989
SMILES	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O
InChI	InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1
InChIKey	ROUDCKODIMKLNO-CTBSXBMHSA-N

Roles Classification

Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:	platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.

ChEBI Ontology

Outgoing Relation(s)
	6-oxoprostaglandin E₁ (CHEBI:28269) has functional parent prostaglandin E₁ (CHEBI:15544)
	6-oxoprostaglandin E₁ (CHEBI:28269) has role metabolite (CHEBI:25212)
	6-oxoprostaglandin E₁ (CHEBI:28269) has role platelet aggregation inhibitor (CHEBI:50427)
	6-oxoprostaglandin E₁ (CHEBI:28269) is a prostaglandins E (CHEBI:26338)
	6-oxoprostaglandin E₁ (CHEBI:28269) is conjugate acid of 6-oxoprostaglandin E₁(1−) (CHEBI:134577)
Incoming Relation(s)
Incoming Relation(s)	6-oxoprostaglandin E₁(1−) (CHEBI:134577) is conjugate base of 6-oxoprostaglandin E₁ (CHEBI:28269)

IUPAC Name
(13E,15S)-11α,15-dihydroxy-6,9-dioxoprost-13-en-1-oic acid

Synonyms	Source
6-Keto-prostaglandin E1	KEGG COMPOUND
6-Keto-PGE1	KEGG COMPOUND
6-Ketoprostaglandin E1	ChemIDplus
6-Oxo-PGE1	ChemIDplus
6-Oxoprostaglandin E1	ChemIDplus

Manual Xrefs	Databases
C05962	KEGG COMPOUND
LMFA03010012	LIPID MAPS

Registry Numbers	Sources
Reaxys:2904839	Reaxys
CAS:67786-53-2	ChemIDplus
CAS:67786-53-2	KEGG COMPOUND

Citations