BioLiP

PDB

BioLiP

PDB CCD ID:

U8Z

Number of entries in BioLiP:

Chemical formula:

C3 H7 O6 P

InChI:

InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h2,4-5H,1H2,(H2,6,7,8)/b3-2+

InChIKey:

MCQBMKDEIFHCJL-NSCUHMNNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC\C(O)=C/O[P](O)(O)=O
OpenEye OEToolkits 2.0.7	C(C(=COP(=O)(O)O)O)O
OpenEye OEToolkits 2.0.7	C(/C(=C\OP(=O)(O)O)/O)O
CACTVS 3.385	OCC(O)=CO[P](O)(O)=O

Name:

[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate

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).