PEZ

2-(PHOSPHONOOXY)BUTANOIC ACID

Created:	2003-05-19
Last modified:	2011-06-04

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1 entries where PEZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	1
Bond Count	19
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-(PHOSPHONOOXY)BUTANOIC ACID
Systematic Name (OpenEye OEToolkits)	2-phosphonooxybutanoic acid
Formula	C₄ H₉ O₆ P
Molecular Weight	184.084
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OC(C(=O)O)CC
SMILES	CACTVS	3.341	CC[CH](O[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCC(C(=O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	CC[C@@H](O[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCC(C(=O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C4H9O6P/c1-2-3(4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1
InChIKey	InChI	1.03	OETAGSCBSKODFW-GSVOUGTGSA-N

Drug Info: DrugBank

DrugBank ID	DB03248
Name	2-(Phosphonooxy)Butanoic Acid
Groups	experimental
Synonyms	2-(Phosphonooxy)Butanoic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
2-dehydro-3-deoxyphosphooctonate aldolase	MEKFLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRS...	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