BioLiP

PDB

BioLiP

PDB CCD ID:

I8L

Number of entries in BioLiP:

Chemical formula:

C7 H6 O4

InChI:

InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2/t7-/m0/s1

InChIKey:

ZRWPUFFVAOMMNM-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C=C2C(=CC(=O)O2)[C@H](O1)O
OpenEye OEToolkits 2.0.7	C1C=C2C(=CC(=O)O2)C(O1)O
CACTVS 3.385	O[C@H]1OCC=C2OC(=O)C=C12
CACTVS 3.385	O[CH]1OCC=C2OC(=O)C=C12

Name:

(4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one

ZINC:

ZINC000003874616

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).