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CHEBI:188765 - Tanomastat

ChEBI IDCHEBI:188765
ChEBI NameTanomastat
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H19ClO3S
Net Charge0
Average Mass410.922
Monoisotopic Mass410.07434
SMILESO=C(C[C@H](CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)/t19-/m1/s1
InChIKeyJXAGDPXECXQWBC-LJQANCHMSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Tanomastat (CHEBI:188765) is a biphenyls (CHEBI:22888)
Tanomastat (CHEBI:188765) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
(2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulanylmethyl)butanoic acid
Manual XrefsDatabases
C90420KEGG COMPOUND
D03802KEGG DRUG
DB06276DrugBank
5293540ChemSpider
Registry NumbersSources
CAS:179545-77-8ChemIDplus