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CHEBI:85232 - prostaglandin D2 1-glyceryl ester

ChEBI IDCHEBI:85232
ChEBI Nameprostaglandin D2 1-glyceryl ester
Stars
ASCII Nameprostaglandin D2 1-glyceryl ester
DefinitionA 1-monoglyceride resulting from the condensation of the carboxy group of prostaglandin D2 with the 1-hydroxy group of glycerol.
Last Modified21 March 2017
Submitternhn
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)OCC(O)CO
InChIInChI=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/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,21-/m0/s1
InChIKeyAWSHXGOINMVSGP-LJAYCTNTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (25290914)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
prostaglandin D2 1-glyceryl ester (CHEBI:85232) has functional parent prostaglandin D2 (CHEBI:15555)
prostaglandin D2 1-glyceryl ester (CHEBI:85232) has role human metabolite (CHEBI:77746)
prostaglandin D2 1-glyceryl ester (CHEBI:85232) is a 1-monoglyceride (CHEBI:35759)
prostaglandin D2 1-glyceryl ester (CHEBI:85232) is a alicyclic ketone (CHEBI:36132)
prostaglandin D2 1-glyceryl ester (CHEBI:85232) is a prostaglandins D (CHEBI:26337)
prostaglandin D2 1-glyceryl ester (CHEBI:85232) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
2,3-dihydroxypropyl (5Z,13E,15S)-9α,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate
Synonyms  Source
1(3)-glycerylprostaglandin D2SUBMITTER
PGD2-1-glyceryl esterHMDB
UniProt Name  Source
prostaglandin D2-1-glycerol esterUniProt
Manual XrefsDatabases
HMDB0013653HMDB
Registry NumbersSources
Reaxys:10128297Reaxys
Citations