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CHEBI:185064 - 15-methyl-15R-PGD2

ChEBI IDCHEBI:185064
ChEBI Name15-methyl-15R-PGD2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O5
Net Charge0
Average Mass366.498
Monoisotopic Mass366.24062
SMILESCCCCC[C@@](C)(O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21-/m1/s1
InChIKeyCTXLUMAOXBULOZ-BKVRKCTKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
15-methyl-15R-PGD2 (CHEBI:185064) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
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4446223ChemSpider
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