CHEBI:135447 - penthienate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name penthienate
ChEBI ID CHEBI:135447
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H30NO3S
Net Charge +1
Average Mass 340.502
Monoisotopic Mass 340.195
InChI InChI=1S/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1
InChIKey NEMLPWNINZELKP-UHFFFAOYSA-N
SMILES C(C(OCC[N+](CC)(CC)C)=O)(O)(C1CCCC1)C2=CC=CS2
ChEBI Ontology
Outgoing penthienate (CHEBI:135447) is a heteroarene (CHEBI:33833)
Synonyms Sources
monodral DrugCentral
penthienate bromide DrugCentral
Database Link Database
2093 DrugCentral
View more database links
Registry Number Type Source
22064-27-3 CAS Registry Number DrugCentral
Last Modified
23 February 2017