3-Hydroxy-6-(methylsufonyl)hexyl glucosinolate
AlkaPlorer ID: AK071479
Synonym: ''
IUPAC Name: [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z,4R)-4-hydroxy-7-methylsulfonyl-N-sulfooxyheptanimidothioate
Structure
SMILES: CS(=O)(=O)CCC[C@@H](O)CC/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/C14H27NO12S3/c1-29(21,22)6-2-3-8(17)4-5-10(15-27-30(23,24)25)28-14-13(20)12(19)11(18)9(7-16)26-14/h8-9,11-14,16-20H,2-7H2,1H3,(H,23,24,25)/b15-10+/t8-,9+,11+,12-,13-,14-/m1/s1
InChIKey: GATIETSMNXZDRL-JMWKZSBQSA-N
Reference
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
PubChem CID: 172917463
LOTUS: LTS0212407
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum rhaeticum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 497.56600000000014
TPSA？: 220.48
MolLogP？: -2.3816999999999964
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|