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CHEBI:46054 - 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate

ChEBI IDCHEBI:46054
ChEBI Name2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H19N3O7P2S
Net Charge0
Average Mass423.324
Monoisotopic Mass423.04189
SMILES[H]OP(=O)(O[H])O[P@](=O)(O[H])OC([H])([H])C([H])([H])c1sc([H])c(C([H])([H])c2c([H])nc(C([H])([H])[H])nc2N([H])[H])c1C([H])([H])[H]
InChIInChI=1S/C13H19N3O7P2S/c1-8-11(5-10-6-15-9(2)16-13(10)14)7-26-12(8)3-4-22-25(20,21)23-24(17,18)19/h6-7H,3-5H2,1-2H3,(H,20,21)(H2,14,15,16)(H2,17,18,19)
InChIKeyIOGGWTLVIZLGGZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate (CHEBI:46054) is a alkyl diphosphate (CHEBI:46731)
2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate (CHEBI:46054) is a aminopyrimidine (CHEBI:38338)
2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate (CHEBI:46054) is a thiophenes (CHEBI:26961)
Synonyms  Source
2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATEPDBeChem
2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphatePDBeChem
Manual XrefsDatabases
TPWPDBeChem