BioLiP

PDB

BioLiP

PDB CCD ID:

HDO

Number of entries in BioLiP:

Chemical formula:

C12 H24 O2

InChI:

InChI=1S/C12H24O2/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h13H,2-11H2,1H3

InChIKey:

ZWRNUBJKJQOMRO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(CCC(CCCCCCCC)=O)O
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCCCCCC(=O)CCCO

Name:

1-hydroxydodecan-4-one

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).