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CHEBI:133979 - prostaglandin D2 2-glyceryl ester

ChEBI IDCHEBI:133979
ChEBI Nameprostaglandin D2 2-glyceryl ester
Stars
ASCII Nameprostaglandin D2 2-glyceryl ester
DefinitionA 2-monoglyceride resulting from the condensation of the carboxy group of prostaglandin D2 with the 2-hydroxy group of glycerol.
Last Modified21 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC23H38O7
Net Charge0
Average Mass426.550
Monoisotopic Mass426.26175
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](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/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-/m0/s1
InChIKeyOCYWGBZEVKVWBQ-PQGWWSFGSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (12244105)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
prostaglandin D2 2-glyceryl ester (CHEBI:133979) has functional parent prostaglandin D2 (CHEBI:15555)
prostaglandin D2 2-glyceryl ester (CHEBI:133979) has role human xenobiotic metabolite (CHEBI:76967)
prostaglandin D2 2-glyceryl ester (CHEBI:133979) is a 2-monoglyceride (CHEBI:17389)
prostaglandin D2 2-glyceryl ester (CHEBI:133979) is a alicyclic ketone (CHEBI:36132)
prostaglandin D2 2-glyceryl ester (CHEBI:133979) is a prostaglandins D (CHEBI:26337)
prostaglandin D2 2-glyceryl ester (CHEBI:133979) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
1,3-dihydroxypropan-2-yl (5Z,13E,15S)-9α,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate
Synonym  Source
2-glyceryl (9α,15S)-dihydroxy-11-oxo-(5Z,13E)-icosadienoateSUBMITTER
UniProt Name  Source
2-glyceryl-prostaglandin D2UniProt
Citations