BioLiP

PDB

BioLiP

PDB CCD ID:

VKE

Number of entries in BioLiP:

Chemical formula:

C11 H9 O7 P

InChI:

InChI=1S/C11H9O7P/c12-11-1-6(4-19(13,14)15)7-2-9-10(17-5-16-9)3-8(7)18-11/h1-3H,4-5H2,(H2,13,14,15)

InChIKey:

RMWCNOJRLBGOBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O
ACDLabs 12.01	C(P(=O)(O)O)C1=CC(=O)Oc2c1cc3c(c2)OCO3
CACTVS 3.385	O[P](O)(=O)CC1=CC(=O)Oc2cc3OCOc3cc12

Name:

[(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid

ChEMBL:

CHEMBL4539856

ZINC:

ZINC000032123984

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).