BioLiP

PDB

BioLiP

PDB CCD ID:

0A0

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O4

InChI:

InChI=1S/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

InChIKey:

CWAYDJFPMMUKOI-YFKPBYRVSA-N

SMILES:

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

Name:

2-methyl-L-aspartic acid

ZINC:

ZINC000002516276

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).