Chemical Component Summary

Name5'-S-(3-aminopropyl)-5'-thioadenosine
Identifiers(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(3-azanylpropylsulfanylmethyl)oxolane-3,4-diol
FormulaC13 H20 N6 O3 S
Molecular Weight340.401
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N
InChIInChI=1S/C13H20N6O3S/c14-2-1-3-23-4-7-9(20)10(21)13(22-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
InChIKeyFUSRAALGPJJIRO-QYVSTXNMSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count4
Bond Count45
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 171251
ChEMBL CHEMBL538693
ChEBI CHEBI:79030