prostaglandin E2-UM (CHEBI:73965)

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ChEBI Name	prostaglandin E2-UM

ChEBI ID	CHEBI:73965

Definition	A prostanoid that is prostaglandin E2 in which the acyclic hydroxy group has been oxidised to the corresponding ketone, the methyl group has been oxidised to the corresponding carboxylic acid and the 6-carboxyhexenyl group has been oxidatively cleaved to a 2-carboxyethyl group. It is the major urinary metabolite of prostaglandin E2.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C16H24O7

Net Charge

Average Mass

328.35760

Monoisotopic Mass

328.15220

InChI

InChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-13,18H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-/m1/s1

InChIKey

ZJAZCYLYLVCSNH-JHJVBQTASA-N

SMILES

O[C@@H]1CC(=O)[C@H](CCC(O)=O)[C@H]1CCC(=O)CCCCC(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	prostaglandin E2-UM (CHEBI:73965) has role metabolite (CHEBI:25212) prostaglandin E2-UM (CHEBI:73965) is a cyclic ketone (CHEBI:3992) prostaglandin E2-UM (CHEBI:73965) is a diketone (CHEBI:46640) prostaglandin E2-UM (CHEBI:73965) is a oxo dicarboxylic acid (CHEBI:36145) prostaglandin E2-UM (CHEBI:73965) is a prostanoid (CHEBI:26347) prostaglandin E2-UM (CHEBI:73965) is a secondary alcohol (CHEBI:35681)

IUPAC Names

11α-hydroxy-2,3,4,5-tetranor-9,15-dioxoprostan-1,20-dioic acid

8-[(1R,2R,5R)-2-(2-carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid

Synonyms	Sources
11α-hydroxy-9,15-dioxo-2,3,4,5,20-pentanor-19-carboxyprostanoic acid	ChemIDplus
Hdopnp	ChemIDplus
PGE-M	ChEBI
PGE-Mum	ChemIDplus
PGE2-UM	ChEBI
PGE2UM	ChEBI
PGEM	ChEBI
prostaglandin E-M	ChEBI
prostaglandin E2 urinary metabolite	ChEBI
prostaglandin E2-M	ChEBI
prostaglandin E2-Mum	ChEBI
Tetranor-PGEM	LIPID MAPS
tetranor-prostaglandin EM	LIPID MAPS

Last Modified

11 June 2013