BioLiP

PDB

BioLiP

PDB CCD ID:

N1X

Number of entries in BioLiP:

Chemical formula:

C10 H14 O2

InChI:

InChI=1S/C10H14O2/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1

InChIKey:

LFPRQMKTEKLYDA-VIFPVBQESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1oc(cc1)C1CCCCO1
OpenEye OEToolkits 2.0.7	Cc1ccc(o1)[C@@H]2CCCCO2
CACTVS 3.385	Cc1oc(cc1)[C@@H]2CCCCO2
OpenEye OEToolkits 2.0.7	Cc1ccc(o1)C2CCCCO2
CACTVS 3.385	Cc1oc(cc1)[CH]2CCCCO2

Name:

(2S)-2-(5-methylfuran-2-yl)oxane

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).