EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:43285 - 2-ACETYL-THIAMINE DIPHOSPHATE

Default Structure
ChEBI IDCHEBI:43285
ChEBI Name2-ACETYL-THIAMINE DIPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H21N4O8P2S
Net Charge+1
Average Mass467.357
Monoisotopic Mass467.05498
SMILES[H]OP(=O)(O[H])O[P@](=O)(O[H])OC([H])([H])C([H])([H])c1sc(C(=O)C([H])([H])[H])[n+](C([H])([H])c2c([H])nc(C([H])([H])[H])nc2N([H])[H])c1C([H])([H])[H]
InChIInChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1
InChIKeyGYRGKLZCJRVYRV-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
2-ACETYL-THIAMINE DIPHOSPHATE (CHEBI:43285) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-iumPDBeChem
2-ACETYL-THIAMINE DIPHOSPHATEPDBeChem
Manual XrefsDatabases
HTLPDBeChem