CHEBI:185654 - 15S-hydroperoxy-PGD2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 15S-hydroperoxy-PGD2
ChEBI ID CHEBI:185654
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
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/h4,7,12-13,15-18,21,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
InChIKey BGTZBKUZEYECKP-OUTUXVNYSA-N
SMILES O[C@@H]1[C@@H]([C@H](C(=O)C1)/C=C/[C@@H](OO)CCCCC)C/C=C\CCCC(O)=O
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-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 Xrefs Databases
113369436 ChemSpider
LMFA03010220 LIPID MAPS
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