BioLiP

PDB

BioLiP

PDB CCD ID:

O12

Number of entries in BioLiP:

Chemical formula:

C17 H34 N2 O3

InChI:

InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1

InChIKey:

FISWIEVEEGBZND-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)NCCCC(C(=O)O)N
CACTVS 3.341	CCCCCCCCCCCC(=O)NCCC[C@H](N)C(O)=O
ACDLabs 10.04	O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCC(=O)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N

Name:

N~5~-dodecanoyl-L-ornithine

ZINC:

ZINC000058638997

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).