EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85166 - prostaglandin H2 2-glyceryl ester

ChEBI IDCHEBI:85166
ChEBI Nameprostaglandin H2 2-glyceryl ester
Stars
ASCII Nameprostaglandin H2 2-glyceryl ester
DefinitionA 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin H2 with the 2-hydroxy group of glycerol.
Last Modified21 February 2017
Submitternhn
DownloadsMolfile
FormulaC23H38O7
Net Charge0
Average Mass426.550
Monoisotopic Mass426.26175
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(CO)CO)[C@@H]2C[C@H]1OO2
InChIInChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-18(15-24)16-25/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/m0/s1
InChIKeyXWDRGTGPJCBPGC-PKBBWAGBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (22942274)
Roles Classification
Chemical Role:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
prostaglandin H2 2-glyceryl ester (CHEBI:85166) has functional parent prostaglandin H2 (CHEBI:15554)
prostaglandin H2 2-glyceryl ester (CHEBI:85166) has role human metabolite (CHEBI:77746)
prostaglandin H2 2-glyceryl ester (CHEBI:85166) is a 2-monoglyceride (CHEBI:17389)
prostaglandin H2 2-glyceryl ester (CHEBI:85166) is a bridged compound (CHEBI:35990)
prostaglandin H2 2-glyceryl ester (CHEBI:85166) is a olefinic compound (CHEBI:78840)
prostaglandin H2 2-glyceryl ester (CHEBI:85166) is a organic peroxide (CHEBI:25702)
prostaglandin H2 2-glyceryl ester (CHEBI:85166) is a prostaglandins H (CHEBI:26344)
prostaglandin H2 2-glyceryl ester (CHEBI:85166) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1,3-dihydroxypropan-2-yl (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoate
Synonym  Source
1,3-dihydroxypropan-2-yl (5Z,9S,11R,13E,15S)-15-hydroxy-9,11-epidioxyprosta-5,13-dien-1-oateChEBI
UniProt Name  Source
2-glyceryl-prostaglandin H2UniProt
Citations