BioLiP

PDB

BioLiP

PDB CCD ID:

VKC

Number of entries in BioLiP:

Chemical formula:

C4 H8 O4

InChI:

InChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)/p-1

InChIKey:

VDNMIIDPBBCMTM-UHFFFAOYSA-M

SMILES:

Software	SMILES
ACDLabs 12.01	[O-]C(=O)COCCO
CACTVS 3.385	OCCOCC(O)=O
OpenEye OEToolkits 1.7.6	C(COCC(=O)O)O

Name:

(2-hydroxyethoxy)acetic 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).