CHEBI:185979 - 15S-hydroperoxy-PGE2

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ChEBI Name 15S-hydroperoxy-PGE2
ChEBI ID CHEBI:185979
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H32O6
Net Charge 0
Average Mass 368.470
Monoisotopic Mass 368.21989
InChI InChI=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
InChIKey RGQICUMNQVAHES-ARSRFYASSA-N
SMILES O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](OO)CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4948049 ChemSpider
LMFA03010217 LIPID MAPS
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Registry Number Type Source
65380-05-4 CAS Registry Number ChemIDplus