| ID | C0034  |
| Compound name | 4-Methylthio-n-butylglucosinolate |
| Stereochemistry | - |
| Aracyc name | 4-Methylthiobutyl glucosinolate |
| External link |
 http://pmn.plantcyc.org/ARA/NEW-IMAGE?type=COMPOUND&object=CPDQT-281
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| Mass information |
1st experiment : compound_URL_list_20130127_edit.txtLC-Q-TOF/MS (Negative ion mode) 2nd experiment : compound_URL_list_20130127_edit.txtLC-Q-TOF/MS (Negative ion mode), LC-Q-TOF/MS (Positive ion mode) |
| Molecular Formula | H22N1O9C12S3 |
| Canonical SMILES | C(CCCC(=NOS([O-])(=O)=O)SC1(OC(C(C(C1O)O)O)CO))SC |
| Molecular Weight | 421.495 |
| Pathway Information | glucosinolate biosynthesis from dihomomethionine |
| CAS ID | 21973-56-8 |
| Synonym | glucoerucin; β-D-glucopyranose, 1-thio-, 1-[5-(methylthio)-N-(sulfooxy)pentanimidate]; glucopyranose, 1-thio-, 1-[5-(methylthio)valerohydroximate], NO-(hydrogen sulfate), β-D; 4-methylthiobutyl glucosinolate |
| External ID | PUBCHEM:656538, KNAPSACK:C00007344, LIGAND-CPD:C08409, CHEBI:5404 |
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