BioLiP

PDB

BioLiP

PDB CCD ID:

AKZ

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O4

InChI:

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

InChIKey:

LYEGQEPZJLIWSB-REOHCLBHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CC(N)C(O)O
OpenEye OEToolkits 1.7.0	C(C(C(O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0	C([C@@H](C(O)O)N)C(=O)O
CACTVS 3.370	N[CH](CC(O)=O)C(O)O
CACTVS 3.370	N[C@@H](CC(O)=O)C(O)O

Name:

(3S)-3-amino-4,4-dihydroxybutanoic acid

ZINC:

ZINC000098208661

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).