BioLiP

PDB

BioLiP

PDB CCD ID:

VY9

Number of entries in BioLiP:

Chemical formula:

C12 H23 N O4

InChI:

InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)

InChIKey:

DKLSSPDDVJYWNG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCC[C@@H](CC(O)=O)NCC(O)=O
CACTVS 3.385	CCCCCCC[CH](CC(O)=O)NCC(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCC(CC(=O)O)NCC(=O)O
OpenEye OEToolkits 2.0.7	CCCCCCC[C@H](CC(=O)O)NCC(=O)O

Name:

(3R)-3-(2-hydroxy-2-oxoethylamino)decanoic 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).