chitosan

Identification (Source:EPA,EU)

ID 716
Name chitosan
CAS 9012-76-4
IUPAC
Inchi
CIPAC
EPA Code 128930
Formula C56H103N9O39
SMILES O=C(OC)N[C@@H]9[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1N)CO)[C@H](O)[C@H]2N)[C@H](O)[C@H]3N)[C@H](O)[C@H]4N)[C@H](O)[C@H]5N)[C@H](O)[C@H]6N)[C@H](O[C@H]9O[C@@H]8[C@H](O[C@@H](O[C@H]7[C@H](O)[C@@H](N)[C@H](O)O[C@@H]7CO)[C@H](N)[C@H]8O)CO)CO
Status Not Approved

Classification

Mode of Action Boosts the ability of plants to defend against fungal infections
Pesticide Type Plant growth regulator, Nematicide
Chemical Group Animal derived
Classification Plant activators
unclassified fungicides

Properties (Source:PubChem)

Molecular Weight 1526.45
Physical State White powder
AlogP -18.431
H-Bond Donor 29
H-Bond Acceptor 47
Surface Area 1425.81
Polar Surface Area 808.0

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Fish Acute 96 hour LC50 0.05 mg l-1
Mammals Acute oral LD50 16000 mg kg-1
Mammals Acute oral LD50 16000 mg kg-1
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Node List

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