2-Methylbutyl glucosinolate
AlkaPlorer ID: AK148249
Synonym: ''
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3S)-3-methyl-N-sulfooxypentanimidothioate
Structure
SMILES: CC[C@H](C)C/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/C12H23NO9S2/c1-3-6(2)4-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(5-14)21-12/h6-7,9-12,14-17H,3-5H2,1-2H3,(H,18,19,20)/b13-8-/t6-,7+,9+,10-,11+,12-/m0/s1
InChIKey: SPOQDEMWLUGCEW-SVOFDCPCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinobacillus pleuropneumoniae | Actinobacillus | Pasteurellaceae | Pasteurellales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Clematis hexapetala | Clematis | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 389.4480000000001
TPSA？: 166.11
MolLogP？: -0.9113999999999992
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|