BioLiP

PDB

BioLiP

PDB CCD ID:

J9Y

Number of entries in BioLiP:

Chemical formula:

C7 H16 N4 O3

InChI:

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

InChIKey:

AZWNHVHYFWVYQE-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN\C(N)=[N+](O)/CCC[C@H](N)C([O-])=O
CACTVS 3.385	CNC(N)=[N+](O)CCC[CH](N)C([O-])=O
ACDLabs 12.01	NC(CCC/[N+](O)=C(/N)NC)C([O-])=O
OpenEye OEToolkits 2.0.6	CN/C(=[N+](\CCC[C@@H](C(=O)[O-])N)/O)/N
OpenEye OEToolkits 2.0.6	CNC(=[N+](CCCC(C(=O)[O-])N)O)N

Name:

(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate

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).