BioLiP

PDB

BioLiP

PDB CCD ID:

K4Q

Number of entries in BioLiP:

Chemical formula:

C11 H21 N O3

InChI:

InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-11(14)15-9-10(12)8-13/h8,10H,2-7,9,12H2,1H3/t10-/m1/s1

InChIKey:

CSUFCBOFZFUZNV-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCC(=O)OC[CH](N)C=O
CACTVS 3.385	CCCCCCCC(=O)OC[C@H](N)C=O
OpenEye OEToolkits 2.0.7	CCCCCCCC(=O)OCC(C=O)N
OpenEye OEToolkits 2.0.7	CCCCCCCC(=O)OC[C@@H](C=O)N

Name:

[(2~{S})-2-azanyl-3-oxidanylidene-propyl] octanoate

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).