BioLiP

PDB

BioLiP

PDB CCD ID:

NFQ

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O4

InChI:

InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1

InChIKey:

XTPIFIMCFHNJOH-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	[H]/N=C/N[C@@H](CC(=O)O)C(=O)O
CACTVS 3.370	OC(=O)C[CH](NC=N)C(O)=O
CACTVS 3.370	OC(=O)C[C@H](NC=N)C(O)=O
ACDLabs 12.01	O=C(O)C(NC=[N@H])CC(=O)O
OpenEye OEToolkits 1.7.0	C(C(C(=O)O)NC=N)C(=O)O

Name:

N-[(E)-iminomethyl]-L-aspartic acid;
N-formimino-L-Aspartate

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).