CHEBI:31449 - Cycotiamine hydrochloride

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ChEBI Name Cycotiamine hydrochloride
ChEBI ID CHEBI:31449
Stars This entity has been manually annotated by a third party.
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Formulae C13H16N4O3S.HCl
C13H17ClN4O3S
Net Charge 0
Average Mass 344.819
Monoisotopic Mass 344.07099
InChI InChI=1S/C13H16N4O3S.ClH/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14;/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16);1H/b11-8-;
InChIKey TWKGUAZLHNQNQW-MKFZHGHUSA-N
SMILES Cl.N1=C(N=CC(=C1N)CN(C=O)/C(=C/2\SC(OCC2)=O)/C)C
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 Cycotiamine hydrochloride (CHEBI:31449) is a aminopyrimidine (CHEBI:38338)
Synonym Source
Cycotiamine hydrochloride KEGG COMPOUND
Manual Xref Database
D01457 KEGG DRUG
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Registry Number Type Source
19488-19-8 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017