BioLiP

PDB

BioLiP

PDB CCD ID:

BHD

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O5

InChI:

InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1

InChIKey:

YYLQUHNPNCGKJQ-LWMBPPNESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(O)C(C(=O)O)N
OpenEye OEToolkits 1.7.6	[C@H]([C@@H](C(=O)O)O)(C(=O)O)N
OpenEye OEToolkits 1.7.6	C(C(C(=O)O)O)(C(=O)O)N
CACTVS 3.370	N[C@@H]([C@H](O)C(O)=O)C(O)=O
CACTVS 3.370	N[CH]([CH](O)C(O)=O)C(O)=O

Name:

(3S)-3-hydroxy-L-aspartic acid;
BETA-HYDROXYASPARTIC ACID

ChEMBL:

CHEMBL1231330

ZINC:

ZINC000000901878

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).