5UK

2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY HEXANOIC ACID

Created:	2015-12-03
Last modified:	2016-08-31

Find Related PDB Entry
1 entries where 5UK is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	0

2D diagram of 5UK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY HEXANOIC ACID
Systematic Name (OpenEye OEToolkits)	(3~{S})-2-azanylidene-3-(3-oxidanyl-2-oxidanylidene-propyl)butanedioic acid
Formula	C₇ H₉ N O₆
Molecular Weight	203.149
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(\C(=N)C(C(O)=O)CC(CO)=O)=O
SMILES	CACTVS	3.385	OCC(=O)C[CH](C(O)=O)C(=N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	C(C(C(=N)C(=O)O)C(=O)O)C(=O)CO
Canonical SMILES	CACTVS	3.385	OCC(=O)C[C@H](C(O)=O)C(=N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O
InChI	InChI	1.03	InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h4,8-9H,1-2H2,(H,11,12)(H,13,14)/b8-5+/t4-/m0/s1
InChIKey	InChI	1.03	RVRAXUFLRLVVQJ-FMAAMLBYSA-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.