PCIDB

KNApSAcK Metabolite C00007814

Metabolite

KNApSAcK Entry

id C00007814
Name 3-Hydroxy-5-(methylthio)pentyl glucosinolate
CAS RN
Standard InChI InChI=1S/C13H25NO10S3/c1-25-5-4-7(16)2-3-9(14-24-27(20,21)22)26-13-12(19)11(18)10(17)8(6-15)23-13/h7-8,10-13,15-19H,2-6H2,1H3,(H,20,21,22)/b14-9-/t7?,8?,10-,11?,12+,13+/m0/s1
Standard InChI (Main Layer) InChI=1S/C13H25NO10S3/c1-25-5-4-7(16)2-3-9(14-24-27(20,21)22)26-13-12(19)11(18)10(17)8(6-15)23-13/h7-8,10-13,15-19H,2-6H2,1H3,(H,20,21,22)

Cluster

Phytochemical cluster No. 76
KCF-S cluster No. 46

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN