BioLiP

PDB

BioLiP

PDB CCD ID:

PMV

Number of entries in BioLiP:

Chemical formula:

C6 H13 O7 P

InChI:

InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1

InChIKey:

OKZYCXHTTZZYSK-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(CCOP(=O)(O)O)(CC(=O)O)O
CACTVS 3.341	C[C](O)(CCO[P](O)(O)=O)CC(O)=O
CACTVS 3.341	C[C@@](O)(CCO[P](O)(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0	C[C@@](CCOP(=O)(O)O)(CC(=O)O)O
ACDLabs 10.04	O=P(O)(O)OCCC(O)(C)CC(=O)O

Name:

(3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID;
PHOSPHOMEVALONATE

ZINC:

ZINC000001532853

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).