6-oxoprostaglandin F1alpha (CHEBI:28158)

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CHEBI:28158 - 6-oxoprostaglandin F_1α

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ChEBI ID	CHEBI:28158
ChEBI Name	6-oxoprostaglandin F_1α
Stars
ASCII Name	6-oxoprostaglandin F1alpha
Definition	A prostaglandin F_α that is prostaglandin F_1α bearing a keto substituent at the 6-position.
Secondary ChEBI IDs	CHEBI:2205, CHEBI:20736
Last Modified	14 February 2017
Downloads	Molfile

Formula	C20H34O6
Net Charge	0
Average Mass	370.486
Monoisotopic Mass	370.23554
SMILES	CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CC(=O)CCCCC(=O)O)[C@@H](O)C[C@H]1O
InChI	InChI=1S/C20H34O6/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/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1
InChIKey	KFGOFTHODYBSGM-ZUNNJUQCSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090)	-	MetaboLights (MTBLS143)

Roles Classification

Biological Roles:

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)
	6-oxoprostaglandin F_1α (CHEBI:28158) has functional parent prostaglandin F_1α (CHEBI:28852)
	6-oxoprostaglandin F_1α (CHEBI:28158) has role human metabolite (CHEBI:77746)
	6-oxoprostaglandin F_1α (CHEBI:28158) has role mouse metabolite (CHEBI:75771)
	6-oxoprostaglandin F_1α (CHEBI:28158) is a prostaglandins F_α (CHEBI:36066)
	6-oxoprostaglandin F_1α (CHEBI:28158) is conjugate acid of 6-oxoprostaglandin F_1α(1−) (CHEBI:133451)
Incoming Relation(s)
Incoming Relation(s)	6-oxoprostaglandin F_1α(1−) (CHEBI:133451) is conjugate base of 6-oxoprostaglandin F_1α (CHEBI:28158)

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

Synonyms	Source
6-Keto-prostaglandin F1alpha	KEGG COMPOUND
6-Keto-prostaglandin F1a	KEGG COMPOUND
6-Keto-PGF1alpha	KEGG COMPOUND
6-Keto-PGF1a	KEGG COMPOUND
6-Ketoprostaglandin F1alpha	ChemIDplus
6-Oxo-PGF1alpha	ChemIDplus

Manual Xrefs	Databases
C05961	KEGG COMPOUND
LMFA03010001	LIPID MAPS

Registry Numbers	Sources
Reaxys:2821925	Reaxys
CAS:58962-34-8	ChemIDplus
CAS:58962-34-8	KEGG COMPOUND

Citations