Microguanidine KT 636
AlkaPlorer ID: AK306551
Synonym: None
IUPAC Name: [5-(diaminomethylideneamino)-1-oxo-1-[1-sulfooxy-1-[4-sulfooxy-3-(sulfooxymethyl)phenyl]propan-2-yl]oxypentan-2-yl]-trimethylazanium
Structure
SMILES: CC(OC(=O)C(CCCNC(=N)N)[N+](C)(C)C)C(OS(=O)(=O)O)C1=CC=C(OS(=O)(=O)O)C(COS(=O)(=O)O)=C1
InChI: InChI=1S/C19H32N4O14S3/c1-12(35-18(24)15(23(2,3)4)6-5-9-22-19(20)21)17(37-40(31,32)33)13-7-8-16(36-39(28,29)30)14(10-13)11-34-38(25,26)27/h7-8,10,12,15,17H,5-6,9,11H2,1-4H3,(H6-,20,21,22,25,26,27,28,29,30,31,32,33)/p+1
InChIKey: XIQDCHGBWAVHIQ-UHFFFAOYSA-O
Reference
Metabolites of <i>Microcystis aeruginosa</i> Bloom Material from Lake Kinneret, Israel
PubChem CID: 57332916
CAS: 1357382-00-3
LOTUS: LTS0068651
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis aeruginosa | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 637.6880000000003
TPSA？: 278.99999999999994
MolLogP？: -0.682129999999993
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Aminopeptidase N | Inhibition | None | % | 10.1021/np200909x |
| Homo sapiens | HCT-116 | Activity | None | None | 10.1021/np200909x |
| Homo sapiens | Thrombin | Inhibition | None | % | 10.1021/np200909x |
| None | Unchecked | Inhibition | None | % | 10.1021/np200909x |