BioLiP

PDB

BioLiP

PDB CCD ID:

MOE

Number of entries in BioLiP:

Chemical formula:

C3 H7 O2

InChI:

InChI=1S/C3H7O2/c1-5-3-2-4/h2-3H2,1H3/q-1

InChIKey:

ASQUQUOEFDHYGP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	[O-]CCOC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	COCC[O-]

Name:

METHOXY-ETHOXYL

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).