BioLiP

PDB

BioLiP

PDB CCD ID:

G3M

Number of entries in BioLiP:

Chemical formula:

C7 H16 N4 O3

InChI:

InChI=1S/C7H16N4O3/c8-5(6(13)14)4(12)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1

InChIKey:

ZMNNJGSTNCXCMN-WHFBIAKZSA-N

SMILES:

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

Name:

(3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine

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).