BioLiP

PDB

BioLiP

PDB CCD ID:

2LE

Number of entries in BioLiP:

Chemical formula:

C9 H18 O2

InChI:

InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m0/s1

InChIKey:

FAPYUVKMJWJMEH-DTWKUNHWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CCCCC[C@H]1CC[C@@H](O1)O
OpenEye OEToolkits 1.7.2	CCCCCC1CCC(O1)O
ACDLabs 12.01	OC1OC(CCCCC)CC1
CACTVS 3.370	CCCCC[CH]1CC[CH](O)O1
CACTVS 3.370	CCCCC[C@H]1CC[C@H](O)O1

Name:

(2R,5S)-5-pentyltetrahydrofuran-2-ol

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).