BioLiP

PDB

BioLiP

PDB CCD ID:

UN2

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O4

InChI:

InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2-3,6-7H,1,5H2,(H,8,9)/t2-/m0/s1

InChIKey:

NVZWSDYYWDDQAN-REOHCLBHSA-N

SMILES:

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

Name:

2-AMINO-4,4-DIHYDROXYBUTANOIC 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).