CHEBI:81939 - Pebulate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pebulate
ChEBI ID CHEBI:81939
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H21NOS
Net Charge 0
Average Mass 203.34500
Monoisotopic Mass 203.13439
InChI InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
InChIKey SGEJQUSYQTVSIU-UHFFFAOYSA-N
SMILES CCCCN(CC)C(=O)SCCC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Pebulate (CHEBI:81939) is a tertiary amine (CHEBI:32876)
Manual Xrefs Databases
508 PPDB
C18755 KEGG COMPOUND
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Registry Number Type Source
1114-71-2 CAS Registry Number KEGG COMPOUND