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CHEBI:185654 - 15S-hydroperoxy-PGD2

ChEBI IDCHEBI:185654
ChEBI Name15S-hydroperoxy-PGD2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](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/h4,7,12-13,15-18,21,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
InChIKeyBGTZBKUZEYECKP-OUTUXVNYSA-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-PGD2 (CHEBI:185654) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R,5S)-2-[(E,3S)-3-hydroperoxyoct-1-enyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
113369436ChemSpider
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