Glucorucolamine
AlkaPlorer ID: AK299321
Synonym: 4-(2-Amino-2-carboxyethylthio)butyl glucosinolate, 4-[(5-Cystein-5-yl)butyl] glucosinolate
IUPAC Name: None
Structure
SMILES: NC(CSCCCC/C(=N/OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)C(=O)O
InChI: InChI=1S/C14H26N2O11S3/c15-7(13(21)22)6-28-4-2-1-3-9(16-27-30(23,24)25)29-14-12(20)11(19)10(18)8(5-17)26-14/h7-8,10-12,14,17-20H,1-6,15H2,(H,21,22)(H,23,24,25)/b16-9-
InChIKey: OITDMYQZJKZZOU-SXGWCWSVSA-N
Reference
CAS: 850194-48-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Eruca | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 494.56600000000014
TPSA？: 229.42999999999995
MolLogP？: -2.0321999999999965
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|