CHEBI:27824 - thiamine(1+) aldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thiamine(1+) aldehyde
ChEBI ID CHEBI:27824
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): B vitamin
A role played by any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B). The group comprises of vitamin B1, B2, B3, B5, B6, B7, B9, and B12 (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such). B vitamins play important roles in cell metabolism.
(via thiamine )
Application(s): B vitamin
A role played by any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B). The group comprises of vitamin B1, B2, B3, B5, B6, B7, B9, and B12 (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such). B vitamins play important roles in cell metabolism.
(via thiamine )
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 thiamine (CHEBI:26948)
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-oxoethyl)-1,3-thiazol-3-ium
Synonyms Sources
Thiamin aldehyde KEGG COMPOUND
Thiamine aldehyde KEGG COMPOUND
Manual Xref Database
C05856 KEGG COMPOUND
View more database links
Last Modified
28 July 2014