BioLiP

PDB

BioLiP

PDB CCD ID:

8MV

Number of entries in BioLiP:

Chemical formula:

C8 H8 O4

InChI:

InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3

InChIKey:

QAVITTVTXPZTSE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)OCc1oc(C=O)cc1
OpenEye OEToolkits 2.0.6	CC(=O)OCc1ccc(o1)C=O
ACDLabs 12.01	C(c1ccc(COC(C)=O)o1)=O

Name:

(5-formylfuran-2-yl)methyl acetate

ZINC:

ZINC000000047425

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).