PAE

PHOSPHONOACETIC ACID

Created:	2000-05-01
Last modified:	2011-06-04

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11 entries where PAE is found as a standalone ligand1 entries where PAE is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

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Chemical Component Summary
Name	PHOSPHONOACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-phosphonoethanoic acid
Formula	C₂ H₅ O₅ P
Molecular Weight	140.032
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CP(=O)(O)O
SMILES	CACTVS	3.341	OC(=O)C[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)O)P(=O)(O)O
Canonical SMILES	CACTVS	3.341	OC(=O)C[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey	InChI	1.03	XUYJLQHKOGNDPB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02823
Name	Phosphonoacetic Acid
Groups	experimental
Description	A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent. [PubChem]
Synonyms	Phosphonoacetic Acid
Categories	Acetates Acids, Acyclic Anti-Infective Agents Enzyme Inhibitors Nucleic Acid Synthesis Inhibitors Organophosphonates Organophosphorus Compounds Reverse Transcriptase Inhibitors
CAS number	4408-78-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Alkaline phosphatase	MKQSTIALALLPLLFTPVTKARTPEMPVLENRAAQGDITAPGGARRLTGD...	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