BioLiP

PDB

BioLiP

PDB CCD ID:

ASI

Number of entries in BioLiP:

Chemical formula:

C4 H6 N O4

InChI:

InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h6H/q-1

InChIKey:

CKLJMWTZIZZHCS-QKJHDDKEDV

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](CC(O)=O)C([O-])=O
ACDLabs 10.04	[O-]C(=O)C(N)CC(=O)O
CACTVS 3.341	N[CH](CC(O)=O)C([O-])=O
OpenEye OEToolkits 1.5.0	C(C(C(=O)[O-])N)C(=O)O
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)[O-])N)C(=O)O

Name:

L-ISO-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).