(Q82753725)

English

5'-S-[3-(Methylamino)propyl]-5'-thioadenosine

chemical compound

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Statements

type of chemical entity

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chemical compound

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354.147409564 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₄H₂₂N₆O₃S

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canonical SMILES

CNCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CNCCCSC[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/C14H22N6O3S/c1-16-3-2-4-24-5-8-10(21)11(22)14(23-8)20-7-19-9-12(15)17-6-18-13(9)20/h6-8,10-11,14,16,21-22H,2-5H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1

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QCFMFNJQDMUBEL-IDTAVKCVSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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