LLP

(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid

Created:	1999-07-08
Last modified:	2024-09-27

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2 entries where LLP is found as a standalone ligand641 entries where LLP is found in a polymer sequence

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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	(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
Synonyms	N'-PYRIDOXYL-LYSINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	2-azanyl-6-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
Formula	C₁₄ H₂₂ N₃ O₇ P
Molecular Weight	375.314
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(C)c(O)c(\C=N\CCCCC(N)C(=O)O)c(c1)COP(=O)(O)O
SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(C=NCCCC[CH](N)C(O)=O)c1O
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCC(C(=O)O)N)O
Canonical SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(C=NCCCC[C@H](N)C(O)=O)c1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCCC(C(=O)O)N)O
InChI	InChI	1.03	InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1
InChIKey	InChI	1.03	YQSOQJORMNSDJL-QFULYMJESA-N

Drug Info: DrugBank

DrugBank ID	DB04083
Name	N(6)-(pyridoxal phosphate)-L-lysine
Groups	experimental
Synonyms	N6-((3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)-L-lysine (S)-2-amino-6-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-4-pyridine)methyleneamino]hexanoic acid N(6)-(pyridoxal phosphate)-L-lysine
CAS number	2440-59-7

Drug Targets

Name	Target Sequence	Pharmacological Action
Kynurenine--oxoglutarate transaminase 1	MAKQLQARRLDGIDYNPWVEFVKLASEHDVVNLGQGFPDFPPPDFAVEAF...	unknown
Ornithine decarboxylase	MNNFGNEEFDCHFLDEGFTAKDILDQKINEVSSSDDKDAFYVADLGDILK...	unknown
Adenosylmethionine-8-amino-7-oxononanoate aminotransferase	MTTDDLAFDQRHIWHPYTSMTSPLPVYPVVSAEGCELILSDGRRLVDGMS...	unknown
Glycogen phosphorylase, muscle form	MSRPLSDQEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPR...	unknown
Serine--pyruvate aminotransferase	MASHKLLVTPPKALLKPLSIPNQLLLGPGPSNLPPRIMAAGGLQMIGSMS...	unknown
Aspartate aminotransferase	MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK...	unknown
Aspartate aminotransferase	MDWLLTPGPVRLHPKALEALARPQLHHRTEAAREVFLKARGLLREAFRTE...	unknown
L-allo-threonine aldolase	MIDLRSDTVTKPTEEMRKAMAQAEVGDDVYGEDPTINELERLAAETFGKE...	unknown
Methionine gamma-lyase	MHGSNKLPGFATRAIHHGYDPQDHGGALVPPVYQTATFTFPTVEYGAACF...	unknown
Cystathionine gamma-synthase	MTRKQATIAVRSGLNDDEQYGCVVPPIHLSSTYNFTGFNEPRAHDYSRRG...	unknown
Tyrosine aminotransferase	MSSWDVSMSNHAGLVFNPIRTVSDNAKPSPSPKPIIKLSVGDPTLDKNLL...	unknown
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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