BioLiP

PDB

BioLiP

PDB CCD ID:

5KJ

Number of entries in BioLiP:

Chemical formula:

C7 H16 N4 O3

InChI:

InChI=1S/C7H16N4O3/c1-11(7(9)10-14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H2,9,10)(H,12,13)/t5-/m0/s1

InChIKey:

AUQNEMXAWPGGNP-YFKPBYRVSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(N)CCCN(C(=[N@H])NO)C
CACTVS 3.370	CN(CCC[C@H](N)C(O)=O)C(=N)NO
OpenEye OEToolkits 1.7.6	CN(CCCC(C(=O)O)N)C(=N)NO
CACTVS 3.370	CN(CCC[CH](N)C(O)=O)C(=N)NO
OpenEye OEToolkits 1.7.6	[H]/N=C(\NO)/N(C)CCC[C@@H](C(=O)O)N

Name:

N~5~-(N-hydroxycarbamimidoyl)-N~5~-methyl-L-ornithine

ZINC:

ZINC000095920514

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).