CHEBI:185064 - 15-methyl-15R-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 15-methyl-15R-PGD2
ChEBI ID CHEBI:185064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O5
Net Charge 0
Average Mass 366.498
Monoisotopic Mass 366.24062
InChI InChI=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
InChIKey CTXLUMAOXBULOZ-BKVRKCTKSA-N
SMILES O[C@@H]1[C@@H]([C@H](C(=O)C1)/C=C/[C@](O)(CCCCC)C)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 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
Manual Xrefs Databases
4446223 ChemSpider
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