LX5

[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate

Created:	2019-09-26
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where LX5 is found as a standalone ligand2 entries where LX5 is covalently linked to polymer or other heterogen groups

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	26
Chiral Atom Count	4
Bond Count	26
Aromatic Bond Count	0

2D diagram of LX5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
Systematic Name (OpenEye OEToolkits)	[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
Formula	C₆ H₁₂ O₇ S
Molecular Weight	228.22
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	C1C(C(C(C1OS(=O)(=O)O)CO)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1[C@H](O)[C@@H](O)C[C@@H]1O[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)CO)O)O
InChI	InChI	1.03	InChI=1S/C6H12O7S/c7-2-3-5(13-14(10,11)12)1-4(8)6(3)9/h3-9H,1-2H2,(H,10,11,12)/t3-,4+,5+,6+/m1/s1
InChIKey	InChI	1.03	WLWVVBPJYHXDMI-VANKVMQKSA-N

Related Resource References

Resource Name	Reference
PubChem	145946074

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.