BioLiP

PDB

BioLiP

PDB CCD ID:

M12

Number of entries in BioLiP:

Chemical formula:

C12 H24 O2

InChI:

InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)

InChIKey:

QJRRBVNPIKYRQJ-UHFFFAOYSA-N

SMILES:

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

Name:

10-METHYLUNDECANOIC ACID

ZINC:

ZINC000001841074

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).