EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180614 - Methyl 4,4,4-trifluoro-3-hydroxy-3-methoxybutanoate

ChEBI IDCHEBI:180614
ChEBI NameMethyl 4,4,4-trifluoro-3-hydroxy-3-methoxybutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H9F3O4
Net Charge0
Average Mass202.128
Monoisotopic Mass202.04529
SMILESCOC(=O)CC(O)(OC)C(F)(F)F
InChIInChI=1S/C6H9F3O4/c1-12-4(10)3-5(11,13-2)6(7,8)9/h11H,3H2,1-2H3
InChIKeyNGBTWDCVWGOJHQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
ChEBI Ontology
Outgoing Relation(s)
Methyl 4,4,4-trifluoro-3-hydroxy-3-methoxybutanoate (CHEBI:180614) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl 4,4,4-triluoro-3-hydroxy-3-methoxybutanoate
Manual XrefsDatabases
28697578ChemSpider