BioLiP

PDB

BioLiP

PDB CCD ID:

HAD

Number of entries in BioLiP:

Chemical formula:

C3 H5 N O5

InChI:

InChI=1S/C3H5NO5/c5-2(6)1-4(9)3(7)8/h9H,1H2,(H,5,6)(H,7,8)

InChIKey:

LJSQPIOQKDFEKE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C(=O)O)N(C(=O)O)O
CACTVS 3.370	ON(CC(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)N(O)CC(=O)O

Name:

(CARBOXYHYDROXYAMINO)ETHANOIC 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).