TLP

3-HYDROXY-2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-BUTYRIC ACID

Created:	2002-07-17
Last modified:	2021-03-01

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1 entries where TLP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-HYDROXY-2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-BUTYRIC ACID
Synonyms	N-PYRIDOXYL-THREONINE-5-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	3-hydroxy-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid
Formula	C₁₂ H₁₉ N₂ O₈ P
Molecular Weight	350.262
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C
SMILES	CACTVS	3.341	CC(O)C(NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O
Canonical SMILES	CACTVS	3.341	CC(O)C(NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKey	InChI	1.03	IZWQBQLGLAKRMN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03576
Name	N-Pyridoxyl-Threonine-5-Monophosphate
Groups	experimental
Synonyms	N-Pyridoxyl-Threonine-5-Monophosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
L-allo-threonine aldolase	MIDLRSDTVTKPTEEMRKAMAQAEVGDDVYGEDPTINELERLAAETFGKE...	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