7EX

(1R,6S)-7-oxabicyclo[4.1.0]heptane

Created:	2016-10-17
Last modified:	2017-10-11

Find Related PDB Entry
2 entries where 7EX 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	17
Chiral Atom Count	2
Bond Count	18
Aromatic Bond Count	0

2D diagram of 7EX

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1R,6S)-7-oxabicyclo[4.1.0]heptane
Systematic Name (OpenEye OEToolkits)	(1~{R},6~{S})-7-oxabicyclo[4.1.0]heptane
Formula	C₆ H₁₀ O
Molecular Weight	98.143
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C12CCCCC1O2
SMILES	CACTVS	3.385	C1CC[CH]2O[CH]2C1
SMILES	OpenEye OEToolkits	2.0.6	C1CCC2C(C1)O2
Canonical SMILES	CACTVS	3.385	C1CC[C@@H]2O[C@@H]2C1
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CC[C@H]2[C@@H](C1)O2
InChI	InChI	1.03	InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+
InChIKey	InChI	1.03	ZWAJLVLEBYIOTI-OLQVQODUSA-N

Related Resource References

Resource Name	Reference
PubChem	637978

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.