BioLiP

PDB

BioLiP

PDB CCD ID:

LAA

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O4

InChI:

InChI=1S/C4H8N2O4/c5-1(3(6)8)2(7)4(9)10/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m0/s1

InChIKey:

XTAAXERUXNEDCQ-NHYDCYSISA-N

SMILES:

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

Name:

(3R)-3-hydroxy-L-alpha-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).