BioLiP

PDB

BioLiP

PDB CCD ID:

MKF

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O4

InChI:

InChI=1S/C6H12N2O4/c1-8(2)6(11)12-3-4(7)5(9)10/h4H,3,7H2,1-2H3,(H,9,10)/t4-/m0/s1

InChIKey:

YZZSSACJQJKEJY-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)C(=O)OC[C@H](N)C(O)=O
CACTVS 3.385	CN(C)C(=O)OC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7	CN(C)C(=O)OCC(C(=O)O)N
OpenEye OEToolkits 2.0.7	CN(C)C(=O)OC[C@@H](C(=O)O)N

Name:

(2~{S})-2-azanyl-3-(dimethylcarbamoyloxy)propanoic acid

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).