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CHEBI:167796 - Cp-114271

ChEBI IDCHEBI:167796
ChEBI NameCp-114271
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H19F3N2O4S
Net Charge0
Average Mass404.410
Monoisotopic Mass404.10176
SMILESC[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C17H19F3N2O4S/c1-10(6-11-2-4-12(5-3-11)26-8-15(24)25)21-7-14(23)13-9-27-16(22-13)17(18,19)20/h2-5,9-10,14,21,23H,6-8H2,1H3,(H,24,25)/t10-,14+/m1/s1
InChIKeyYVIXXPCJZAUQHJ-YGRLFVJLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cp-114271 (CHEBI:167796) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-[4-[(2R)-2-[[(2S)-2-hydroxy-2-[2-(triluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetic acid
Manual XrefsDatabases
8128655ChemSpider
Registry NumbersSources
CAS:162326-86-5ChemIDplus