6-(Methylsulfonyl)hexyl glucosinolate
AlkaPlorer ID: AK011192
Synonym: ''
IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-7-methylsulfonyl-N-sulfooxyheptanimidothioate
Structure
SMILES: CS(=O)(=O)CCCCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C14H27NO11S3/c1-28(20,21)7-5-3-2-4-6-10(15-26-29(22,23)24)27-14-13(19)12(18)11(17)9(8-16)25-14/h9,11-14,16-19H,2-8H2,1H3,(H,22,23,24)/b15-10+/t9-,11+,12+,13-,14-/m1/s1
InChIKey: ILRMEXURGOFHMQ-DDORFSPESA-N
Reference
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
PubChem CID: 172937618
LOTUS: LTS0221519
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum rhaeticum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 481.5670000000001
TPSA？: 200.25
MolLogP？: -1.3524999999999974
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|