glyphosate

Identification (Source:EPA,EU)

ID 988
Name glyphosate
CAS 1071-83-6
IUPAC
Inchi InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
CIPAC 284
EPA Code 417300
Formula C3H8NO5P
SMILES C(C(=O)[O-])NCP(=O)(O)O
Status Approved

Classification

Mode of Action Broad-spectrum, systemic, contact action translocated and non-residual. Inhibition of lycopene cyclase.
Pesticide Type Herbicide
Chemical Group Phosphonoglycine
Classification organophosphorus herbicides

Properties (Source:PubChem)

Molecular Weight 168.07
Physical State Colourless crystals
AlogP -4.222
H-Bond Donor 4
H-Bond Acceptor 6
Surface Area 158.85
Polar Surface Area 116.67

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
Algae Acute 72 hour EC50, growth 4.4 mg l-1
Algae Chronic 96 hour NOEC, growth 2 mg l-1
Aquatic crustaceans Acute 96 hour LC50 40.0 mg l-1
Aquatic invertebrates Acute 48 hour EC50 40 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 30 mg l-1
Aquatic plants Acute 7 day EC50, biomass 12 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Birds Short term dietary LC50/LD50 > 4640 mg/kg feed
Earthworms Chronic 14 day NOEC, reproduction > 28.8 mg kg-1
Earthworms Acute 14 day LD50 > 480 mg kg-1
Fish Chronic 21 day NOEC 25 mg l-1
Fish Acute 96 hour LC50 38.0 mg l-1
Honeybees Acute 48 hour LD50 100 μg bee-1
Mammals Acute oral LD50 1760 mg kg-1
Mammals Short term dietary NOEL 150 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 0.5

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 334(4,4,5,9) Details
CP4 577(2,11,29,57) Details
acetolactate synthase 394(2,9,11,14) Details
MPPA 262(2,4,10,12) Details
cyclin 173(2,2,3,8) Details
CDK1 172(2,2,3,7) Details
ha 1 136(1,2,6,6) Details
protoporphyrinogen oxidase 112(1,2,2,2) Details
IMAC 112(1,2,2,2) Details
cholinesterase 105(1,1,3,15) Details
Vil 1 102(1,1,4,7) Details
ATPase 89(1,1,1,9) Details
cytochrome P450 monooxygenase 88(1,1,2,3) Details
Nit 1 87(1,1,2,2) Details
AHAS 85(1,1,1,5) Details
deepest 82(1,1,1,2) Details
PEPC 82(1,1,1,2) Details
a C1 81(1,1,1,1) Details
muscles 81(1,1,1,1) Details
Acetylcholinesterase 58(0,1,3,18) Details
N acetyltransferase 45(0,1,3,5) Details
transferase 39(0,1,1,9) Details
AG1 38(0,1,2,3) Details
glutamine synthetase 35(0,1,1,5) Details
lysozyme 33(0,1,1,3) Details
tph 2 31(0,1,1,1) Details
GLP 1 31(0,1,1,1) Details
superoxide dismutase 34(0,0,5,9) Details
glutathione S transferase 28(0,0,4,8) Details
alkaline phosphatase 26(0,0,4,6) Details
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