Chemical Component Summary

NameN-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine
Identifiers(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-[6-[[(~{E})-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]oxolane-3,4-diol
FormulaC15 H21 N5 O5
Molecular Weight351.358
TypeNON-POLYMER
Isomeric SMILESC/C(=C\CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO
InChIInChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1
InChIKeyGOSWTRUMMSCNCW-HNNGNKQASA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count4
Bond Count48
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 162968849