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CHEBI:186834 - 16,16-dimethyl-PGD2

ChEBI IDCHEBI:186834
ChEBI Name16,16-dimethyl-PGD2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O5
Net Charge0
Average Mass380.525
Monoisotopic Mass380.25627
SMILESCCCCC(C)(C)[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-18,20,23,25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18+,20-/m1/s1
InChIKeyZEMOZGYCFBTCMC-MBNOUSKYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
16,16-dimethyl-PGD2 (CHEBI:186834) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
4446180ChemSpider
LMFA03010052LIPID MAPS
Registry NumbersSources
CAS:85235-22-9ChemIDplus