BioLiP

PDB

BioLiP

PDB CCD ID:

HR7

Number of entries in BioLiP:

Chemical formula:

C7 H16 N4 O2

InChI:

InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)

InChIKey:

VNWXCGKMEWXYBP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C(CC(CC(=O)O)N)CN=C(N)N
CACTVS 3.370	N[CH](CCCN=C(N)N)CC(O)=O
CACTVS 3.370	N[C@@H](CCCN=C(N)N)CC(O)=O
ACDLabs 12.01	O=C(O)CC(N)CCC/N=C(\N)N
OpenEye OEToolkits 1.7.2	C(C[C@@H](CC(=O)O)N)CN=C(N)N

Name:

(3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid;
BETA-HOMOARGININE

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).