BioLiP

PDB

BioLiP

PDB CCD ID:

T55

Number of entries in BioLiP:

Chemical formula:

C10 H20 O2

InChI:

InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

InChIKey:

OAOABCKPVCUNKO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CC(C)CCCCCCC(O)=O
ACDLabs 10.04	O=C(N)CCCCCCC(C)C
OpenEye OEToolkits 1.6.1	CC(C)CCCCCCC(=O)O

Name:

8-METHYLNONANOIC ACID

ZINC:

ZINC000002043770

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).