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CHEBI:183885 - 3-methoxylimaprost

ChEBI IDCHEBI:183885
ChEBI Name3-methoxylimaprost
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O6
Net Charge0
Average Mass412.567
Monoisotopic Mass412.28249
SMILESCCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCC(CC(=O)O)OC
InChIInChI=1S/C23H40O6/c1-4-5-8-16(2)13-17(24)11-12-20-19(21(25)15-22(20)26)10-7-6-9-18(29-3)14-23(27)28/h11-12,16-20,22,24,26H,4-10,13-15H2,1-3H3,(H,27,28)/b12-11+/t16-,17+,18?,19+,20+,22+/m0/s1
InChIKeyCQMVTHTYLSWGRI-HMHRGJHKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
3-methoxylimaprost (CHEBI:183885) is a prostanoid (CHEBI:26347)
IUPAC Name 
7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-3-methoxyheptanoic acid
Manual XrefsDatabases
29341816ChemSpider