LDU

DIDEOXY-IMINO-LYXITOL

Created:	2015-03-17
Last modified:	2015-03-25

Find Related PDB Entry
1 entries where LDU 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	20
Chiral Atom Count	3
Bond Count	20
Aromatic Bond Count	0

2D diagram of LDU

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	DIDEOXY-IMINO-LYXITOL
Systematic Name (OpenEye OEToolkits)	(2R,3S,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol
Formula	C₅ H₁₁ N O₃
Molecular Weight	133.146
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1NC[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	C1C(C(C(N1)CO)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1NC[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@H]([C@H]([C@H](N1)CO)O)O
InChI	InChI	1.03	InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKey	InChI	1.03	OQEBIHBLFRADNM-WDCZJNDASA-N

Related Resource References

Resource Name	Reference
PubChem	9882222
ChEMBL	CHEMBL1289018

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.