| ID | C0033  |
| Compound name | 4-(Methylsulfinyl)butylglucosinolate |
| Stereochemistry | - |
| Aracyc name | 4-Methylsulfinylbutyl glucosinolate |
| External link |
 http://pmn.plantcyc.org/ARA/NEW-IMAGE?type=COMPOUND&object=CPDQT-280
|
| Mass information |
1st experiment : compound_URL_list_20130127_edit.txtLC-Q-TOF/MS (Negative ion mode) 2nd experiment : |
| Molecular Formula | H22N1S3C12O10 |
| Canonical SMILES | C(O)C1(C(O)C(O)C(O)C(SC(=NOS(=O)(=O)[O-])CCCCS(=O)C)O1) |
| Molecular Weight | 437.494 |
| Pathway Information | glucosinolate biosynthesis from dihomomethionine |
| CAS ID | 21414-41-5 |
| Synonym | glucoraphanin; β-D-glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate); glucopyranose, 1-thio-, 1-[5-(methylsulfinyl)valerohydroximate] NO-(hydrogen sulfate); β-D-; 4-methylsulfinylbutyl glucosinolate |
| External ID | PUBCHEM:9548633, LIGAND-CPD:C08419, CHEBI:5415, KNAPSACK:C00007545 |
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