BioLiP

PDB

BioLiP

PDB CCD ID:

LN7

Number of entries in BioLiP:

Chemical formula:

C10 H23 N3 O2

InChI:

InChI=1S/C10H23N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8-,9-/m0/s1

InChIKey:

RLYDQIKERMGUOF-IUCAKERBSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCCC[CH](N)NCCC[CH](N)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CCCNC(N)CCCC
OpenEye OEToolkits 1.7.0	CCCCC(N)NCCCC(C(=O)O)N
OpenEye OEToolkits 1.7.0	CCCC[C@@H](N)NCCC[C@@H](C(=O)O)N
CACTVS 3.370	CCCC[C@@H](N)NCCC[C@H](N)C(O)=O

Name:

N~5~-[(1S)-1-aminopentyl]-L-ornithine

ZINC:

ZINC000058649375

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).