CHEBI:3350 - candicine

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ChEBI Name candicine
ChEBI ID CHEBI:3350
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C11H18NO
Net Charge +1
Average Mass 180.26676
Monoisotopic Mass 180.13829
InChI InChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1
InChIKey PTOJXIKSKSASRB-UHFFFAOYSA-O
SMILES C[N+](C)(C)CCc1ccc(O)cc1
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 candicine (CHEBI:3350) is a primary amine (CHEBI:32877)
IUPAC Name
2-(4-hydroxyphenyl)-N,N,N-trimethylethanaminium
Synonyms Sources
Ammonium, (p-hydroxyphenethyl)trimethyl- KEGG COMPOUND
Candicin ChemIDplus
Candicine KEGG COMPOUND
Manual Xrefs Databases
C00002319 KNApSAcK
C10575 KEGG COMPOUND
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Registry Numbers Types Sources
4133224 Beilstein Registry Number ChemIDplus
6656-13-9 CAS Registry Number ChemIDplus
Last Modified
28 July 2014