BioLiP

PDB

BioLiP

PDB CCD ID:

B3S

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O3

InChI:

InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1

InChIKey:

BUZICZZQJDLXJN-GSVOUGTGSA-N

SMILES:

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

Name:

(3R)-3-AMINO-4-HYDROXYBUTANOIC ACID

ZINC:

ZINC000004181821

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).