glucoberteroin(1-)
AlkaPlorer ID: AK016576
Synonym: '5-Methylthiopentyl glucosinolate', 'Glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate) NO-(hydrogen sulfate), beta-D-', 'glucoberteroin', '5-Methylthiopentylglucosinolate', '5-(Methylthio)pentylglucosinolate potassium salt', 'Glucoberteroin'
IUPAC Name: [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-6-methylsulfanyl-N-sulfooxyhexanimidothioate
Structure
SMILES: CSCCCCC/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/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9-/t8-,10-,11+,12+,13+/m0/s1
InChIKey: MEFPHTVXBPLRLX-BRXBVWLPSA-N
Reference
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
PubChem CID: 159541159
LOTUS: LTS0113231
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dimorphocarpa wislizeni | Dimorphocarpa | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.54200000000014
TPSA？: 166.11
MolLogP？: -0.4242000000000002
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|