3PP

3-PHOSPHONOPROPANOIC ACID

Created:	2000-12-14
Last modified:	2020-06-05

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3 entries where 3PP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

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Chemical Component Summary
Name	3-PHOSPHONOPROPANOIC ACID
Synonyms	2-CARBOXYETHYLPHOSPHONIC ACID
Systematic Name (OpenEye OEToolkits)	3-phosphonopropanoic acid
Formula	C₃ H₇ O₅ P
Molecular Weight	154.058
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCP(=O)(O)O
SMILES	CACTVS	3.341	OC(=O)CC[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CP(=O)(O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CC[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CP(=O)(O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
InChIKey	InChI	1.03	NLBSQHGCGGFVJW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03379
Name	2-Carboxyethylphosphonic Acid
Groups	experimental
Synonyms	2-Carboxyethylphosphonic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Triosephosphate isomerase	MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNW...	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