BioLiP

PDB

BioLiP

PDB CCD ID:

MHN

Number of entries in BioLiP:

Chemical formula:

C8 H18 O

InChI:

InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey:

BWDBEAQIHAEVLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	OCCCCCC(C)C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC(C)CCCCCO

Name:

6-METHYLHEPTAN-1-OL;
METHYL HEPTANOL

ZINC:

ZINC000002039356

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).