ID C0038  
Compound name 5-(Methylthio)pentylglucosinolate
Stereochemistry -
Aracyc name 5-Methylthiopentylglucosinolate
External link   http://pmn.plantcyc.org/ARA/NEW-IMAGE?type=COMPOUND&object=CPDQT-286
Mass information 1st experiment  :  compound_URL_list_20130127_edit.txtLC-Q-TOF/MS (Negative ion mode)
2nd experiment  :  
Molecular Formula H24N1O9S3C13
Canonical SMILES C(=NOS(=O)(=O)[O-])(SC1(C(O)C(O)C(O)C(CO)O1))CCCCCSC
Molecular Weight 435.522
Pathway Information glucosinolate biosynthesis from trihomomethionine
CAS ID 29611-01-6
Synonym glucoberteroin; glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate) NO-(hydrogen sulfate), β-D-
External ID PUBCHEM:9548726, LIGAND-CPD:C08401, CHEBI:5396, KNAPSACK:C00007593