CHEBI:188765 - Tanomastat

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tanomastat
ChEBI ID CHEBI:188765
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H19ClO3S
Net Charge 0
Average Mass 410.910
Monoisotopic Mass 410.07434
InChI InChI=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
InChIKey JXAGDPXECXQWBC-LJQANCHMSA-N
SMILES ClC1=CC=C(C2=CC=C(C(=O)C[C@H](CSC3=CC=CC=C3)C(O)=O)C=C2)C=C1
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
5293540 ChemSpider
C90420 KEGG COMPOUND
D03802 KEGG DRUG
DB06276 KEGG DRUG
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Registry Number Type Source
179545-77-8 CAS Registry Number ChemIDplus