BioLiP

PDB

BioLiP

PDB CCD ID:

7EX

Number of entries in BioLiP:

Chemical formula:

C6 H10 O

InChI:

InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+

InChIKey:

ZWAJLVLEBYIOTI-OLQVQODUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1CC[C@H]2[C@@H](C1)O2
ACDLabs 12.01	C12CCCCC1O2
OpenEye OEToolkits 2.0.6	C1CCC2C(C1)O2
CACTVS 3.385	C1CC[CH]2O[CH]2C1
CACTVS 3.385	C1CC[C@@H]2O[C@@H]2C1

Name:

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

ZINC:

ZINC000005082817

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).