PCIDB

KNApSAcK Metabolite C00000097

Metabolite

KNApSAcK Entry

id C00000097
Name N6-(D2-Isopentenyl)-2-methylthioadenosine / 2-Methylthio-N6-(delta2-isopentenyl)adenosine
CAS RN 20859-00-1
Standard InChI 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
Standard InChI (Main Layer) 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)

Cluster

Phytochemical cluster
KCF-S cluster No. 989

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN C008503