input word = C00000097

Metabolite InformationStructural formula
Name 2-Methylthio-N6-(delta2-isopentenyl)adenosine
N6-(D2-Isopentenyl)-2-methylthioadenosine
2-Methylthio-N6-isopentenyladenosine
Formula C16H23N5O4S
Mw 381.14707499
CAS RN 20859-00-1
C_ID C00000097 ,
InChIKey VZQXUWKZDSEQRR-UHFFFAOYNA-N
InChICode InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
SMILES CSc1nc(NCC=C(C)C)c2ncn(C3OC(CO)C(O)C3O)c2n1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr
Organism
Kingdom Family Species Reference
BacteriaBradyrhizobiaceaeBradyrhizobium japonicum Ref.
BacteriaCorynebacteriaceaeCorynebacterium fascians Ref.
BacteriaRhizobiaceaeAgrobacterium tumefaciens Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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