PY6

2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID

Created:	1999-08-18
Last modified:	2020-06-05

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2 entries where PY6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID
Synonyms	VITAMIN B6 COMPLEXED WITH 2-AMINO-HEXANOIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hexanoic acid
Formula	C₁₄ H₂₃ N₂ O₇ P
Molecular Weight	362.315
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)CCCC
SMILES	CACTVS	3.341	CCCC[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
Canonical SMILES	CACTVS	3.341	CCCC[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C14H23N2O7P/c1-3-4-5-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6,12,16-17H,3-5,7-8H2,1-2H3,(H,18,19)(H2,20,21,22)/t12-/m0/s1
InChIKey	InChI	1.03	NHVFCSUYJRWFNW-LBPRGKRZSA-N

Drug Info: DrugBank

DrugBank ID	DB02981
Name	Vitamin B6 Complexed with 2-Amino-Hexanoic Acid
Groups	experimental
Synonyms	Vitamin B6 Complexed with 2-Amino-Hexanoic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aspartate aminotransferase	MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK...	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