CKT

Cys-ketimine

Created:	2019-02-18
Last modified:	2021-03-01

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1 entries where CKT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of CKT

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Chemical Component Summary
Name	Cys-ketimine
Synonyms	(2Z)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-sulfanylpropanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]-3-sulfanyl-propanoic acid
Formula	C₁₁ H₁₅ N₂ O₇ P S
Molecular Weight	350.285
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1c(c(c(cn1)COP(O)(=O)O)C\N=C(\C(O)=O)CS)O
SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(CN=C(CS)C(O)=O)c1O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(CS)C(=O)O)O
Canonical SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(CN=C(CS)C(O)=O)c1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CS)/C(=O)O)O
InChI	InChI	1.03	InChI=1S/C11H15N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/b13-9+
InChIKey	InChI	1.03	KPYIACOPTFGBII-UKTHLTGXSA-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.