11-(Methylsulfinyl)undecyl glucosinolate
AlkaPlorer ID: AK050370
Synonym: ''
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-12-[(R)-methylsulfinyl]-N-sulfooxydodecanimidothioate
Structure
SMILES: C[S@@](=O)CCCCCCCCCCC/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/C19H37NO10S3/c1-32(25)12-10-8-6-4-2-3-5-7-9-11-15(20-30-33(26,27)28)31-19-18(24)17(23)16(22)14(13-21)29-19/h14,16-19,21-24H,2-13H2,1H3,(H,26,27,28)/b20-15-/t14-,16-,17-,18+,19+,32+/m0/s1
InChIKey: ZXUVJMBTZIUKJG-VYIUXYIHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neslia paniculata | Neslia | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 535.7030000000002
TPSA？: 183.18
MolLogP？: 0.9319
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|