glucoerysolin
AlkaPlorer ID: AK021135
Synonym: 'Glucopyranose, 1-thio-, 1-(5-(methylsulfonyl)valerohydroximate) NO-(hydrogen sulfate), monopotassium salt, beta-D-', 'Glucoerysolin', '4-methylsulfonylbutylglucosinolate', '4-(Methylsulfonyl)butyl glucosinolate', '4-Methylsulfonylbutyl glucosinolate'
IUPAC Name: [(Z)-[5-methylsulfonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]amino] sulfate
Structure
SMILES: CS(=O)(=O)CCCC/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/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/p-1/b13-8+/t7-,9-,10+,11-,12+/m1/s1
InChIKey: WJMGSLJQEIYHOF-KALKGZTMSA-M
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eruca vesicaria | Eruca | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Brassica oleracea | Brassica | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Erysimum perofskianum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 452.5050000000001
TPSA？: 203.08
MolLogP？: -2.4752999999999967
Number of H-Donors: 4
Number of H-Acceptors: 13
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|