(Q105162197)

English

(2R)-2-amino-4-[[(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate

group of stereoisomers with the chemical formula C₁₅H₂₂N₆O₅S

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Statements

group of stereoisomers

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1 reference

398.137238804 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂N₆O₅S

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canonical SMILES

O=C([O-])C(N)CC[S+](C)CC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O

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isomeric SMILES

C[S+](CC[C@@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O

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Identifiers

InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8-,10+,11+,14-,27?/m1/s1

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MEFKEPWMEQBLKI-AAFYGDISSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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