BioLiP

PDB

BioLiP

PDB CCD ID:

XNG

Number of entries in BioLiP:

Chemical formula:

C14 H27 N O3

InChI:

InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)

InChIKey:

BARYBGIAWGGBOE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCC(=O)NCCCC(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCC(=O)NCCCC(=O)O
ACDLabs 12.01	C(CCC(=O)O)NC(CCCCCCCCC)=O

Name:

4-(decanoylamino)butanoic acid

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).