BioLiP

PDB

BioLiP

PDB CCD ID:

3ZS

Number of entries in BioLiP:

Chemical formula:

C5 H8 O

InChI:

InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+

InChIKey:

GJEZBVHHZQAEDB-SYDPRGILSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1C[C@@H]2[C@H](C1)O2
ACDLabs 12.01	O1C2CCCC12
OpenEye OEToolkits 1.9.2	C1CC2C(C1)O2
CACTVS 3.385	C1C[CH]2O[CH]2C1
CACTVS 3.385	C1C[C@@H]2O[C@@H]2C1

Name:

(1R,5S)-6-oxabicyclo[3.1.0]hexane

ZINC:

ZINC000001639894

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).