CN0

(2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid

Created:	2019-05-09
Last modified:	2020-05-13

Find Related PDB Entry
1 entries where CN0 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	4
Bond Count	23
Aromatic Bond Count	0

2D diagram of CN0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid
Formula	C₆ H₁₁ N O₅
Molecular Weight	177.155
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1CN[CH]([CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C1C(C(C(C(N1)C(=O)O)O)O)O
Canonical SMILES	CACTVS	3.385	O[C@H]1CN[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4+,5+/m0/s1
InChIKey	InChI	1.03	ZHFMVVUVCALAMY-QMKXCQHVSA-N

Related Resource References

Resource Name	Reference
PubChem	9815382
ChEMBL	CHEMBL442895
CCDC/CSD	VIKGIG
COD	2215294

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.