PDA

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

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is present as a standalone ligand in 8 entries

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Chemical Component Summary
Name	2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID
Synonyms	PYRIDOXYL-ALANINE-5-PHOSPHATE
Identifiers	2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
Formula	C₁₁ H₁₇ N₂ O₇ P
Molecular Weight	320.236
Type	NON-POLYMER
Isomeric SMILES	Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O
InChI	InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1
InChIKey	WACJCHFWJNNBPR-ZETCQYMHSA-N

Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB04467 ?
Name	N-(5'-phosphopyridoxyl)-L-alanine
Groups	experimental
Synonyms	N-(5'-phosphopyridoxyl)-L-alanine

Drug Targets

Name	Target Sequence	Pharmacological Action
Aspartate aminotransferase	MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK...	unknown
Alanine racemase	MNDFHRDTWAEVDLDAIYDNVENLRRLLPDDTHIMAVVKANAYGHGDVQV...	unknown
L-cysteine/cystine lyase C-DES	MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENG...	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