BioLiP

PDB

BioLiP

PDB CCD ID:

AS2

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O3

InChI:

InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1

InChIKey:

HOSWPDPVFBCLSY-GSVOUGTGSA-N

SMILES:

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

Name:

(2R)-2-AMINO-4-OXOBUTANOIC ACID;
ASPARTATE SEMIALDEHYDE

DrugBank:

DB04498

ZINC:

ZINC000003870023

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).