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CHEBI:186965 - 16,16-dimethyl-PGE1

ChEBI IDCHEBI:186965
ChEBI Name16,16-dimethyl-PGE1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H38O5
Net Charge0
Average Mass382.541
Monoisotopic Mass382.27192
SMILESCCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C22H38O5/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/h12-13,16-17,19-20,24-25H,4-11,14-15H2,1-3H3,(H,26,27)/b13-12+/t16-,17-,19-,20-/m1/s1
InChIKeyRQOFITYRYPQNLL-ZWSAOQBFSA-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-PGE1 (CHEBI:186965) is a prostanoid (CHEBI:26347)
IUPAC Name 
7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Manual XrefsDatabases
4446185ChemSpider
LMFA03010057LIPID MAPS
Registry NumbersSources
CAS:41692-15-3ChemIDplus