BioLiP

PDB

BioLiP

PDB CCD ID:

RZO

Number of entries in BioLiP:

Chemical formula:

C6 H12 Cl2 O7 P2

InChI:

InChI=1S/C6H12Cl2O7P2/c1-5(4-9)2-3-15-17(13,14)6(7,8)16(10,11)12/h2,9H,3-4H2,1H3,(H,13,14)(H2,10,11,12)/b5-2+

InChIKey:

ANMIMWNFRRKSMF-GORDUTHDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=CCOP(=O)(C(P(=O)(O)O)(Cl)Cl)O)CO
OpenEye OEToolkits 2.0.7	C/C(=C\COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/CO
CACTVS 3.385	CC(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O
CACTVS 3.385	CC(/CO)=C\CO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O

Name:

[bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid

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).