EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40880 - [(1S,3R,4S,7R)-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE

Default Structure
ChEBI IDCHEBI:40880
ChEBI Name[(1S,3R,4S,7R)-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC11H15N2O9P
Net Charge0
Average Mass350.220
Monoisotopic Mass350.05152
SMILES[H]O[C@@]1([H])[C@]2(C([H])([H])OP(=O)(O[H])O[H])O[C@@]([H])(n3c([H])c(C([H])([H])[H])c(=O)n([H])c3=O)[C@@]1([H])OC2([H])[H]
InChIInChI=1S/C11H15N2O9P/c1-5-2-13(10(16)12-8(5)15)9-6-7(14)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,16)(H2,17,18,19)/t6-,7+,9+,11-/m0/s1
InChIKeyBXKGBLDLIZEIJX-QJSROADHSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S,3R,4S,7R)-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE (CHEBI:40880) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-{2,5-anhydro-4-[(phosphonooxy)methyl]-beta-D-lyxofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dionePDBeChem
[(1S,3R,4S,7R)-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATEPDBeChem
Manual XrefsDatabases
ATLPDBeChem