BioLiP

PDB

BioLiP

PDB CCD ID:

ASK

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O3

InChI:

InChI=1S/C5H9NO3/c1-3(7)4(6)2-5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1

InChIKey:

GLBZTEXOKUGEES-BYPYZUCNSA-N

SMILES:

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

Name:

DEHYDROXYMETHYLASPARTIC ACID;
ASPARTYLMETHANE

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).