BioLiP

PDB

BioLiP

PDB CCD ID:

3LA

Number of entries in BioLiP:

Chemical formula:

C12 H22 O3

InChI:

InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)

InChIKey:

DZHSPYMHDVROSM-UHFFFAOYSA-N

SMILES:

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

Name:

3-OXODODECANOIC ACID;
3-OXO-LAURIC ACID

ZINC:

ZINC000001529423

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).