3-Hydroxy-5-(methylthio)pentyl glucosinolate
AlkaPlorer ID: AK135253
Synonym: ''
IUPAC Name: [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z,4S)-4-hydroxy-6-methylsulfanyl-N-sulfooxyhexanimidothioate
Structure
SMILES: CSCC[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/C13H25NO10S3/c1-25-5-4-7(16)2-3-9(14-24-27(20,21)22)26-13-12(19)11(18)10(17)8(6-15)23-13/h7-8,10-13,15-19H,2-6H2,1H3,(H,20,21,22)/b14-9+/t7-,8-,10-,11+,12+,13+/m0/s1
InChIKey: DEVGBJBLPJIRTA-UQPREYBZSA-N
Reference
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
PubChem CID: 172702885
LOTUS: LTS0234929
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum rhaeticum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 451.5410000000001
TPSA？: 186.34
MolLogP？: -1.4533999999999991
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|