BioLiP

PDB

BioLiP

PDB CCD ID:

6F5

Number of entries in BioLiP:

Chemical formula:

C8 H16 O2

InChI:

InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

InChIKey:

OEOIWYCWCDBOPA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)CCCCC(O)=O
OpenEye OEToolkits 2.0.5	CC(C)CCCCC(=O)O

Name:

6-methylheptanoic acid

ZINC:

ZINC000002584579

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).