BioLiP

PDB

BioLiP

PDB CCD ID:

P22

Number of entries in BioLiP:

Chemical formula:

C2 H8 O7 P2

InChI:

InChI=1S/C2H8O7P2/c1-2-8-11(6,7)9-10(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5)

InChIKey:

OJDJHGIXNZPZFD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCO[P@@](O)(=O)O[P](O)(O)=O
CACTVS 3.341	CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	CCOP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	CCO[P@](=O)(O)OP(=O)(O)O
ACDLabs 10.04	O=P(OP(=O)(O)OCC)(O)O

Name:

ETHYL DIHYDROGEN DIPHOSPHATE

DrugBank:

DB01798

ZINC:

ZINC000012501104

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).