7LQ

(1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol

Created:	2016-11-15
Last modified:	2017-01-11

Find Related PDB Entry
1 entries where 7LQ 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	22
Chiral Atom Count	3
Bond Count	22
Aromatic Bond Count	0

2D diagram of 7LQ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol
Systematic Name (OpenEye OEToolkits)	(1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol
Formula	C₇ H₁₂ O₃
Molecular Weight	144.168
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1CC=C[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.6	C1C=CC(C(C1CO)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1CC=C[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1C=C[C@H]([C@@H]([C@H]1CO)O)O
InChI	InChI	1.03	InChI=1S/C7H12O3/c8-4-5-2-1-3-6(9)7(5)10/h1,3,5-10H,2,4H2/t5-,6-,7-/m1/s1
InChIKey	InChI	1.03	JIULRVIFQNXLCR-FSDSQADBSA-N

Related Resource References

Resource Name	Reference
PubChem	123132906

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.