BioLiP

PDB

BioLiP

PDB CCD ID:

ON8

Number of entries in BioLiP:

Chemical formula:

C5 H12 N4 O2

InChI:

InChI=1S/C5H12N4O2/c6-4(3-10)1-2-11-9-5(7)8/h3-4H,1-2,6H2,(H4,7,8,9)/t4-/m0/s1

InChIKey:

UPVLEVGRMHPBJM-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[H]/N=C(/N)\NOCC[C@@H](C=O)N
CACTVS 3.385	N[C@@H](CCONC(N)=N)C=O
CACTVS 3.385	N[CH](CCONC(N)=N)C=O
OpenEye OEToolkits 2.0.7	C(CONC(=N)N)C(C=O)N

Name:

1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine

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).