EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172573 - R-138727

Default Structure
ChEBI IDCHEBI:172573
ChEBI NameR-138727
Stars
Last Modified17 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20FNO3S
Net Charge0
Average Mass349.427
Monoisotopic Mass349.11479
SMILESO=C(O)/C=C1/CN(C(C(=O)C2CC2)c2ccccc2F)CCC1S
InChIInChI=1S/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,9,11,15,17,24H,5-8,10H2,(H,21,22)/b12-9-
InChIKeyZWUQVNSJSJHFPS-XFXZXTDPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
R-138727 (CHEBI:172573) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
(2Z)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulanylpiperidin-3-ylidene]acetic acid
Manual XrefsDatabases
8580972ChemSpider