3-Hydroxy-6-(methylsulfinyl)hexyl glucosinolate
AlkaPlorer ID: AK060187
Synonym: ''
IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,4S)-4-hydroxy-7-[(R)-methylsulfinyl]-N-sulfooxyheptanimidothioate
Structure
SMILES: C[S@@](=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/C14H27NO11S3/c1-28(21)6-2-3-8(17)4-5-10(15-26-29(22,23)24)27-14-13(20)12(19)11(18)9(7-16)25-14/h8-9,11-14,16-20H,2-7H2,1H3,(H,22,23,24)/b15-10-/t8-,9+,11-,12-,13+,14+,28+/m0/s1
InChIKey: IKQHPOZBQMEURD-UVGYQAIASA-N
Reference
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
PubChem CID: 172921723
LOTUS: LTS0189973
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？: 203.41
MolLogP？: -2.0477999999999965
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|