UJM

(2S)-thiolane-2-carboxylic acid

Created:	2020-05-18
Last modified:	2021-09-29

Find Related PDB Entry
1 entries where UJM 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	16
Chiral Atom Count	1
Bond Count	16
Aromatic Bond Count	0

2D diagram of UJM

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2S)-thiolane-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-thiolane-2-carboxylic acid
Formula	C₅ H₈ O₂ S
Molecular Weight	132.181
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(O)(C1SCCC1)=O
SMILES	CACTVS	3.385	OC(=O)[CH]1CCCS1
SMILES	OpenEye OEToolkits	2.0.7	C1CC(SC1)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)[C@@H]1CCCS1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1C[C@H](SC1)C(=O)O
InChI	InChI	1.03	InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKey	InChI	1.03	MZOYMQRKTJRHGJ-BYPYZUCNSA-N

Related Resource References

Resource Name	Reference
PubChem	643423

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.