prostaglandin E2 1-glyceryl ester (CHEBI:90230)

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CHEBI:90230 - prostaglandin E₂ 1-glyceryl ester

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ChEBI ID	CHEBI:90230
ChEBI Name	prostaglandin E₂ 1-glyceryl ester
Stars
ASCII Name	prostaglandin E2 1-glyceryl ester
Definition	A 1-monoglyceride resulting from the condensation of the carboxy group of prostaglandin E₂ with the 1-hydroxy group of glycerol.
Last Modified	9 August 2017
Submitter	AnneNiknejad
Downloads	Molfile

Formula	C23H38O7
Net Charge	0
Average Mass	426.550
Monoisotopic Mass	426.26175
SMILES	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OCC(O)CO
InChI	InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,22+/m0/s1
InChIKey	RJXVYMMSQBYEHN-LVXZDWGESA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (21049984)

Roles Classification

Biological Role:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	prostaglandin E₂ 1-glyceryl ester (CHEBI:90230) has functional parent prostaglandin E₂ (CHEBI:15551)
	prostaglandin E₂ 1-glyceryl ester (CHEBI:90230) has role human metabolite (CHEBI:77746)
	prostaglandin E₂ 1-glyceryl ester (CHEBI:90230) is a 1-monoglyceride (CHEBI:35759)
	prostaglandin E₂ 1-glyceryl ester (CHEBI:90230) is a alicyclic ketone (CHEBI:36132)
	prostaglandin E₂ 1-glyceryl ester (CHEBI:90230) is a prostaglandins E (CHEBI:26338)
	prostaglandin E₂ 1-glyceryl ester (CHEBI:90230) is a secondary allylic alcohol (CHEBI:134396)
	prostaglandin E₂ 1-glyceryl ester (CHEBI:90230) is a tetrol (CHEBI:33573)

IUPAC Name
2,3-dihydroxypropyl (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate

Synonyms	Source
Prostaglandin PGE(,2) 1-glycerol	HMDB
Prostaglandin PGE2 1-glyceryl ester	HMDB
1-(9,15-Dioxo-11alpha-hydroxy-(5Z,13E)-prostadienoyl)-glycerol	HMDB

UniProt Name	Source
prostaglandin E₂ 1-glyceryl ester	UniProt

Manual Xrefs	Databases
HMDB0013043	HMDB

Registry Numbers	Sources
Reaxys:10128296	Reaxys

Citations