BioLiP

PDB

BioLiP

PDB CCD ID:

NIG

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O4

InChI:

InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1

InChIKey:

NRXIKWMTVXPVEF-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)CC[C@H](NC=N)C(O)=O
OpenEye OEToolkits 1.5.0	[H]N=CNC(CCC(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0	[H]/N=C\N[C@@H](CCC(=O)O)C(=O)O
ACDLabs 10.04	O=C(O)CCC(NC=[N@H])C(=O)O
CACTVS 3.341	OC(=O)CC[CH](NC=N)C(O)=O

Name:

N-(IMINOMETHYL)-L-GLUTAMIC ACID;
N-FORMIMINO-L-GLUTAMATE

ZINC:

ZINC000001532658

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).