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CHEBI:137176 - prostaglandin I2 2-glyceryl ester

ChEBI IDCHEBI:137176
ChEBI Nameprostaglandin I2 2-glyceryl ester
Stars
ASCII Nameprostaglandin I2 2-glyceryl ester
DefinitionA 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin I2 with the 2-hydroxy group of glycerol.
Last Modified9 August 2017
Submitternhn
DownloadsMolfile
FormulaC23H38O7
Net Charge0
Average Mass426.550
Monoisotopic Mass426.26175
SMILES[H][C@]12C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@@]1([H])C/C(=C/CCCC(=O)OC(CO)CO)O2
InChIInChI=1S/C23H38O7/c1-2-3-4-7-16(26)10-11-19-20-12-17(29-22(20)13-21(19)27)8-5-6-9-23(28)30-18(14-24)15-25/h8,10-11,16,18-22,24-27H,2-7,9,12-15H2,1H3/b11-10+,17-8-/t16-,19+,20+,21+,22-/m0/s1
InChIKeyPAZIMHKUNWKSLH-YZYJJAERSA-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 I2 2-glyceryl ester (CHEBI:137176) has functional parent prostaglandin I2 (CHEBI:15552)
prostaglandin I2 2-glyceryl ester (CHEBI:137176) has role human metabolite (CHEBI:77746)
prostaglandin I2 2-glyceryl ester (CHEBI:137176) is a 2-monoglyceride (CHEBI:17389)
prostaglandin I2 2-glyceryl ester (CHEBI:137176) is a diol (CHEBI:23824)
prostaglandin I2 2-glyceryl ester (CHEBI:137176) is a prostaglandins I (CHEBI:26345)
prostaglandin I2 2-glyceryl ester (CHEBI:137176) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
1,3-dihydroxypropan-2-yl (5Z,13E,15S)-6,9α-epoxy-11α,15-dihydroxyprosta-5,13-dienoate
Synonyms  Source
6,9S -epoxy-11R,15S -dihydoxy-5Z ,13 E-prostadienoic acid 2-glyceryl esterSUBMITTER
1,3-dihydroxypropan-2-yl (5Z,9α,11α,13E,15S )-11,15-dihydroxy-6,9-epoxyprosta-5,13-dien-1-oateIUPAC
UniProt Name  Source
2-glyceryl-prostaglandin I2UniProt
Citations