BioLiP

PDB

BioLiP

PDB CCD ID:

C6D

Number of entries in BioLiP:

Chemical formula:

C9 H20 N4 O3

InChI:

InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1

InChIKey:

YCHONDWDFOKMRR-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CC(C(=O)O)N)CNC(=N)NCCCO
CACTVS 3.385	N[CH](CCCNC(=N)NCCCO)C(O)=O
CACTVS 3.385	N[C@@H](CCCNC(=N)NCCCO)C(O)=O
ACDLabs 12.01	NC(C(=O)O)CCCN\C(=N)NCCCO
OpenEye OEToolkits 2.0.6	[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO

Name:

N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-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).