CHEBI:135691 - cetotiamine

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ChEBI Name cetotiamine
ChEBI ID CHEBI:135691
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H26N4O6S
Net Charge 0
Average Mass 426.489
Monoisotopic Mass 426.15731
InChI InChI=1S/C18H26N4O6S/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21)/b15-12-
InChIKey YBROOZNJUDHTGE-QINSGFPZSA-N
SMILES C(N(/C(=C(\SC(OCC)=O)/CCOC(OCC)=O)/C)C=O)C=1C(N)=NC(=NC1)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cetotiamine (CHEBI:135691) is a aminopyrimidine (CHEBI:38338)
Synonyms Sources
cetotiamine HCl DrugCentral
cetotiamine hydrochloride DrugCentral
Manual Xref Database
3081 DrugCentral
View more database links
Registry Number Type Source
137-76-8 CAS Registry Number DrugCentral
Last Modified
23 February 2017