BioLiP

PDB

BioLiP

PDB CCD ID:

IP3

Number of entries in BioLiP:

Chemical formula:

C5 H12 O

InChI:

InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

InChIKey:

PHTQWCKDNZKARW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	OCCC(C)C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC(C)CCO

Name:

1-HYDROXY-3-METHYLBUTANE

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).