(Q55167832)

English

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

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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399.14451525609 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₅H₂₃N₆O₅S

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canonical SMILES

C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[S+](CCC(C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

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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)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1

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MEFKEPWMEQBLKI-YDBXVIPQSA-O

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1 reference

26 April 2024

based on heuristic

inferred from InChIKey

1 reference

26 April 2024

based on heuristic

inferred from InChIKey

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