EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49534 - 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine

Default Structure
ChEBI IDCHEBI:49534
ChEBI Name1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine
Stars
DownloadsMolfile
FormulaC13H19AsF3NO3
Net Charge+2
Average Mass369.215
Monoisotopic Mass369.05220
SMILES[H]O[N+](=O)c1c([H])c([H])c([H])c([H])c1[C@]([H])(OC([H])([H])C([H])([H])[As+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(F)(F)F
InChIInChI=1S/C13H19AsF3NO3/c1-14(2,3)8-9-21-12(13(15,16)17)10-6-4-5-7-11(10)18(19)20/h4-7,12H,8-9H2,1-3H3,(H,19,20)/q+2/t12-/m0/s1
InChIKeyLUSVMAVUPPIHKA-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine (CHEBI:49534) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholinePDBeChem
hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammoniumPDBeChem
Manual XrefsDatabases
CFQPDBeChem