BioLiP

PDB

BioLiP

PDB CCD ID:

FM0

Number of entries in BioLiP:

Chemical formula:

C6 H13 F O10 P2

InChI:

InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1

InChIKey:

YIGLDWRZXXHIGZ-ZCFIWIBFSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=P(O)(O)OP(=O)(OCCC(O)(CC(=O)O)CF)O
OpenEye OEToolkits 1.7.0	C(COP(=O)(O)OP(=O)(O)O)C(CC(=O)O)(CF)O
OpenEye OEToolkits 1.7.0	C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O
CACTVS 3.370	OC(=O)C[C](O)(CF)CCO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.370	OC(=O)C[C@@](O)(CF)CCO[P](O)(=O)O[P](O)(O)=O

Name:

(3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid;
6-fluoromevalonate 5-diphosphate

ChEMBL:

CHEMBL1160328

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).