9SE

(2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid

Created:	2015-12-17
Last modified:	2016-04-06

Find Related PDB Entry
2 entries where 9SE 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	21
Chiral Atom Count	2
Bond Count	21
Aromatic Bond Count	0

2D diagram of 9SE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	(2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid
Formula	C₆ H₉ N O₄ Se
Molecular Weight	238.1
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[C]1(N[CH](C[Se]1)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CC1(NC(C[Se]1)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@]1(N[C@@H](C[Se]1)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C6H9NO4Se/c1-6(5(10)11)7-3(2-12-6)4(8)9/h3,7H,2H2,1H3,(H,8,9)(H,10,11)/t3-,6+/m0/s1
InChIKey	InChI	1.03	YQSKWMPEENRPTH-BBIVZNJYSA-N

Related Resource References

Resource Name	Reference
PubChem	118987017

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.