GPJ

GLYPHOSATE

Created:	2000-11-16
Last modified:	2011-06-04

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16 entries where GPJ is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	19
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	0

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Chemical Component Summary
Name	GLYPHOSATE
Systematic Name (OpenEye OEToolkits)	carboxymethyl-(phosphonomethyl)azanium
Formula	C₃ H₉ N O₅ P
Molecular Weight	170.081
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C[NH2+]CP(=O)(O)O
SMILES	CACTVS	3.341	OC(=O)C[NH2+]C[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)O)[NH2+]CP(=O)(O)O
Canonical SMILES	CACTVS	3.341	OC(=O)C[NH2+]C[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)O)[NH2+]CP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1
InChIKey	InChI	1.03	XDDAORKBJWWYJS-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB04539
Name	Glyphosate
Groups	experimental
Synonyms	Glyphosate
Categories	Agrochemicals Amino Acids Amino Acids, Peptides, and Proteins Anti-Infective Agents Compounds used in a research, industrial, or household setting Enzyme Inhibitors Herbicides Organophosphates Organophosphorus Compounds Pesticides Toxic Actions Uncoupling Agents
CAS number	1071-83-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytochrome P450 19A1	MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGP...	unknown
3-phosphoshikimate 1-carboxyvinyltransferase	MESLTLQPIARVDGTINLPGSKSVSNRALLLAALAHGKTVLTNLLDSDDV...	unknown
3-phosphoshikimate 1-carboxyvinyltransferase	MKLKTNIRHLHGSIRVPGDKSISHRSIIFGSLAEGETKVYDILRGEDVLS...	unknown	inhibitor
Serum albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682