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CHEBI:49863 - 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE

Default Structure
ChEBI IDCHEBI:49863
ChEBI Name2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
Stars
DownloadsMolfile
FormulaC15H23N3O8P2S
Net Charge0
Average Mass467.377
Monoisotopic Mass467.06811
SMILES[H]O[C@]([H])(c1sc(C([H])([H])C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])c(C([H])([H])[H])c1C([H])([H])c1c([H])nc(C([H])([H])[H])nc1N([H])[H])C([H])([H])[H]
InChIInChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m0/s1
InChIKeyORVRYSKZCUVOLA-VIFPVBQESA-N
ChEBI Ontology
Outgoing Relation(s)
2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE (CHEBI:49863) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATEPDBeChem
2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphatePDBeChem
Manual XrefsDatabases
S1TPDBeChem