BioLiP

PDB

BioLiP

PDB CCD ID:

HTN

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O4

InChI:

InChI=1S/C5H10N2O4/c1-7-4(9)3(8)2(6)5(10)11/h2-3,8H,6H2,1H3,(H,7,9)(H,10,11)/t2-,3-/m1/s1

InChIKey:

GZWUZRUMLUBXRQ-PWNYCUMCSA-N

SMILES:

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

Name:

(3R)-3-hydroxy-N-methyl-D-asparagine

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).