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CHEBI:46162 - PHOSPHOMETHYL PHOSPHONIC ACID DEOXYTHYMIDYLATE ESTER

Default Structure
ChEBI IDCHEBI:46162
ChEBI NamePHOSPHOMETHYL PHOSPHONIC ACID DEOXYTHYMIDYLATE ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC11H19N2O13P3
Net Charge0
Average Mass480.196
Monoisotopic Mass480.01000
SMILES[H]O[C@@]1([H])C([H])([H])[C@]([H])(n2c([H])c(C([H])([H])[H])c(=O)n([H])c2=O)O[C@]1([H])C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C([H])([H])P(=O)(O[H])O[H]
InChIInChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-29(22,23)26-28(20,21)5-27(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
InChIKeyHEDAITKJNKXWIZ-DJLDLDEBSA-N
ChEBI Ontology
Outgoing Relation(s)
PHOSPHOMETHYL PHOSPHONIC ACID DEOXYTHYMIDYLATE ESTER (CHEBI:46162) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]thymidinePDBeChem
PHOSPHOMETHYL PHOSPHONIC ACID DEOXYTHYMIDYLATE ESTERPDBeChem
Manual XrefsDatabases
TTEPDBeChem