3-Hydroxy-6-(methylthio)hexyl glucosinolate
AlkaPlorer ID: AK077062
Synonym: ''
IUPAC Name: [(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,4R)-4-hydroxy-7-methylsulfanyl-N-sulfooxyheptanimidothioate
Structure
SMILES: CSCCC[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/C14H27NO10S3/c1-26-6-2-3-8(17)4-5-10(15-25-28(21,22)23)27-14-13(20)12(19)11(18)9(7-16)24-14/h8-9,11-14,16-20H,2-7H2,1H3,(H,21,22,23)/b15-10-/t8-,9-,11+,12-,13-,14-/m1/s1
InChIKey: HIJXEWKOXQGKSZ-NIDCTLQXSA-N
Reference
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
PubChem CID: 172930726
LOTUS: LTS0090449
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum rhaeticum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.5680000000001
TPSA？: 186.34
MolLogP？: -1.0632999999999997
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|