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CHEBI:137172 - prostaglandin E2 2-glyceryl ester

ChEBI IDCHEBI:137172
ChEBI Nameprostaglandin E2 2-glyceryl ester
Stars
ASCII Nameprostaglandin E2 2-glyceryl ester
DefinitionA 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin E2 with the 2-hydroxy group of glycerol.
Last Modified9 August 2017
Submitternhn
DownloadsMolfile
FormulaC23H38O7
Net Charge0
Average Mass426.550
Monoisotopic Mass426.26175
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC(CO)CO
InChIInChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,22+/m0/s1
InChIKeyHJWDPZIOTMUWRW-CXZSOYKBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (12244105)
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 2-glyceryl ester (CHEBI:137172) has functional parent prostaglandin E2 (CHEBI:15551)
prostaglandin E2 2-glyceryl ester (CHEBI:137172) has role human metabolite (CHEBI:77746)
prostaglandin E2 2-glyceryl ester (CHEBI:137172) is a 2-monoglyceride (CHEBI:17389)
prostaglandin E2 2-glyceryl ester (CHEBI:137172) is a alicyclic ketone (CHEBI:36132)
prostaglandin E2 2-glyceryl ester (CHEBI:137172) is a prostaglandins E (CHEBI:26338)
prostaglandin E2 2-glyceryl ester (CHEBI:137172) is a secondary allylic alcohol (CHEBI:134396)
prostaglandin E2 2-glyceryl ester (CHEBI:137172) is a tetrol (CHEBI:33573)
IUPAC Name 
1,3-dihydroxypropan-2-yl (5Z ,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate
Synonyms  Source
9-oxo-11 R,15S-dihydroxy-5Z ,13E-prostadienoic acid 2-glyceryl esterLIPID MAPS
2-glyceryl-PGE2LIPID MAPS
UniProt Name  Source
2-glyceryl-prostaglandin E2UniProt
Manual XrefsDatabases
LMFA03010185LIPID MAPS
HMDB0013045HMDB
Registry NumbersSources
Reaxys:15775365Reaxys
Citations