CHEBI:191681 - ID11614

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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 ID11614
ChEBI ID CHEBI:191681
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H13N3S
Net Charge 0
Average Mass 219.310
Monoisotopic Mass 219.08302
InChI InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKey KRDOFMHJLWKXIU-UHFFFAOYSA-N
SMILES S1N=C(N2CCNCC2)C=3C1=CC=CC3
Metabolite of Species Details
Solanum tuberosum (NCBI:txid4113) Found in leaf (BTO:0000713). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ID11614 (CHEBI:191681) is a N-arylpiperazine (CHEBI:46848)
IUPAC Name
3-piperazin-1-yl-1,2-benzothiazole
Manual Xrefs Databases
2052573 ChemSpider
HMDB0061056 HMDB
View more database links
Registry Number Type Source
87691-87-0 CAS Registry Number ChemIDplus