5-(Methylsufinyl)pentyl glucosinolate
AlkaPlorer ID: AK134908
Synonym: ''
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-6-methylsulfonyl-N-sulfooxyhexanimidothioate
Structure
SMILES: CS(=O)(=O)CCCCC/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/C13H25NO11S3/c1-27(19,20)6-4-2-3-5-9(14-25-28(21,22)23)26-13-12(18)11(17)10(16)8(7-15)24-13/h8,10-13,15-18H,2-7H2,1H3,(H,21,22,23)/b14-9-/t8-,10-,11-,12+,13+/m0/s1
InChIKey: DYHNNXNLQRZJKH-VHPLTFBBSA-N
Reference
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
PubChem CID: 172930718
LOTUS: LTS0140567
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum rhaeticum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 467.5400000000001
TPSA？: 200.25
MolLogP？: -1.742599999999997
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|