4-(Methylthio)butyl glucosinolate; S-De-Me
AlkaPlorer ID: AK306347
Synonym: 1-Thio-β-D-glucopyranose 1-[N-(sulfooxy)-5-thiopentanimidate], 4-Mercaptobutyl glucosinolate, Glucosativin
IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-sulfanyl-N-sulfooxypentanimidothioate
Structure
SMILES: O=S(=O)(O)O/N=C(\CCCCS)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H21NO9S3/c13-5-6-8(14)9(15)10(16)11(20-6)23-7(3-1-2-4-22)12-21-24(17,18)19/h6,8-11,13-16,22H,1-5H2,(H,17,18,19)/b12-7+
InChIKey: KQCBSBJKABPMAT-KPKJPENVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Diplotaxis tenuifolia | Diplotaxis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Eruca | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 407.48800000000006
TPSA？: 166.11
MolLogP？: -1.2475000000000005
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|