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CHEBI:185979 - 15S-hydroperoxy-PGE2

Default Structure
ChEBI IDCHEBI:185979
ChEBI Name15S-hydroperoxy-PGE2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H32O6/c1-2-3-6-9-15(26-25)12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24/h4,7,12-13,15-17,19,22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChIKeyRGQICUMNQVAHES-ARSRFYASSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
15S-hydroperoxy-PGE2 (CHEBI:185979) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R,3R)-2-[(E,3S)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
4948049ChemSpider
LMFA03010217LIPID MAPS
Registry NumbersSources
CAS:65380-05-4ChemIDplus