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CHEBI:45942 - [(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(thymin-1-yl)cyclopentyl]methyl dihydrogen phosphate

ChEBI IDCHEBI:45942
ChEBI Name[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(thymin-1-yl)cyclopentyl]methyl dihydrogen phosphate
Stars
ASCII Name[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(thymin-1-yl)cyclopentyl]methyl dihydrogen phosphate
Secondary ChEBI IDsCHEBI:40236, CHEBI:45940
Last Modified21 February 2008
DownloadsMolfile
FormulaC12H19N2O7P
Net Charge0
Average Mass334.265
Monoisotopic Mass334.09299
SMILES[H]O[C@@]1([H])C([H])([H])[C@]([H])(n2c([H])c(C([H])([H])[H])c(=O)n([H])c2=O)[C@@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])OP(=O)(O[H])O[H]
InChIInChI=1S/C12H19N2O7P/c1-6-4-14(12(17)13-11(6)16)9-3-10(15)8(7(9)2)5-21-22(18,19)20/h4,7-10,15H,3,5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t7-,8-,9-,10-/m0/s1
InChIKeyLAMPGVURVUFMOO-XKNYDFJKSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(thymin-1-yl)cyclopentyl]methyl dihydrogen phosphate (CHEBI:45942) has functional parent thymine (CHEBI:17821)
[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(thymin-1-yl)cyclopentyl]methyl dihydrogen phosphate (CHEBI:45942) is a monoalkyl phosphate (CHEBI:25381)
Synonyms  Source
6'-ALPHA-METHYL CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATEPDBeChem
[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphatePDBeChem
Manual XrefsDatabases
6CTPDBeChem
T32PDBeChem