A1L4Z

2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanedioic acid

Created:	2024-10-15
Last modified:	2025-07-16

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1 entries where A1L4Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of A1L4Z

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Chemical Component Summary
Name	2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanedioic acid
Systematic Name (OpenEye OEToolkits)	2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanedioic acid
Formula	C₁₁ H₁₃ N₂ O₉ P
Molecular Weight	348.203
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(C=NC(C(O)=O)C(O)=O)c1O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(=O)O)C(=O)O)O
Canonical SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(C=NC(C(O)=O)C(O)=O)c1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(C(=O)O)C(=O)O)O
InChI	InChI	1.06	InChI=1S/C11H13N2O9P/c1-5-9(14)7(3-13-8(10(15)16)11(17)18)6(2-12-5)4-22-23(19,20)21/h2-3,8,14H,4H2,1H3,(H,15,16)(H,17,18)(H2,19,20,21)/b13-3+
InChIKey	InChI	1.06	NZWIGLKAYRQNJI-QLKAYGNNSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.