[(E)-[6-(methylsulfanyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]amino]oxysulfonic acid
AlkaPlorer ID: AK453840
Synonym: None
IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 6-methylsulfanyl-N-sulfooxyhexanimidothioate
Structure
SMILES: CSCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)
InChIKey: MEFPHTVXBPLRLX-UHFFFAOYSA-N
Reference
Updated Glucosinolate Profile of <i>Dithyrea wislizenii</i>
PubChem CID: 4479689
CAS: 29611-01-6
LOTUS: LTS0129242
COCONUT: CNP0124430.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dimorphocarpa wislizeni | Dimorphocarpa | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.54200000000014
TPSA？: 166.11
MolLogP？: -0.4242000000000002
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|