UNPD116501
AlkaPlorer ID: AK588335
Synonym: None
IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 7-methylsulfanyl-N-sulfooxyheptanimidothioate
Structure
SMILES: CSCCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)
InChIKey: ZAKICGFSIJSCSF-UHFFFAOYSA-N
Reference
Updated Glucosinolate Profile of <i>Dithyrea wislizenii</i>
PubChem CID: 75144756
CAS: 74542-17-9
LOTUS: LTS0104104
COCONUT: CNP0189555.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dimorphocarpa wislizeni | Dimorphocarpa | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.5690000000001
TPSA？: 166.11
MolLogP？: -0.0341000000000003
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|