BioLiP

PDB

BioLiP

PDB CCD ID:

C1J

Number of entries in BioLiP:

Chemical formula:

C14 H30 N4 O2

InChI:

InChI=1S/C14H30N4O2/c1-2-3-4-5-6-7-10-17-14(16)18-11-8-9-12(15)13(19)20/h12H,2-11,15H2,1H3,(H,19,20)(H3,16,17,18)/t12-/m0/s1

InChIKey:

LFWWNZPTJURVEX-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCCCCCNC(=N)NCCCC(C(=O)O)N
CACTVS 3.385	CCCCCCCCNC(=N)NCCC[CH](N)C(O)=O
CACTVS 3.385	CCCCCCCCNC(=N)NCCC[C@H](N)C(O)=O
ACDLabs 12.01	NC(C(O)=O)CCCN/C(NCCCCCCCC)=N
OpenEye OEToolkits 2.0.6	[H]/N=C(/NCCCCCCCC)\NCCC[C@@H](C(=O)O)N

Name:

N~5~-(N-octylcarbamimidoyl)-L-ornithine

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).