CHEBI:27824 - thiamine(1+) aldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thiamine(1+) aldehyde
ChEBI ID CHEBI:27824
Definition A heteroarenecarbaldehyde that is thiamine(1+) in which the 2-hydroxyethyl group has been replaced by a 2-oxoethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9535, CHEBI:26947
Supplier Information
Download Molfile XML SDF
Formula C12H15N4OS
Net Charge +1
Average Mass 263.33986
Monoisotopic Mass 263.09611
InChI InChI=1S/C12H15N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)/q+1
InChIKey YLTKXCQXTWMOIT-UHFFFAOYSA-N
SMILES [H]C(=O)Cc1sc[n+](Cc2cnc(C)nc2N)c1C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): water-soluble vitamin (role)
Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
(via B vitamin )
Application(s): nutraceutical
A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
(via B vitamin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiamine(1+) aldehyde (CHEBI:27824) is a heteroarenecarbaldehyde (CHEBI:49104)
thiamine(1+) aldehyde (CHEBI:27824) is a vitamin B1 (CHEBI:26948)
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-oxoethyl)-1,3-thiazol-3-ium
Synonyms Sources
3-(4-amino-2-methyl-5-pyrimidinylmethyl)-4-methylthiazole-3-ium-5-acetaldehyde ChEBI
thiamin aldehyde KEGG COMPOUND
thiamine aldehyde KEGG COMPOUND
Manual Xrefs Databases
389674 ChemSpider
C05856 KEGG COMPOUND
THIAMINE-ALDEHYDE MetaCyc
View more database links
Citation Waiting for Citations Type Source
2988447 PubMed citation Europe PMC
Last Modified
19 July 2021