BioLiP

PDB

BioLiP

PDB CCD ID:

XII

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

InChI=1S/C6H12O5/c1-6(11,2-4(7)8)3-5(9)10/h4,7-8,11H,2-3H2,1H3,(H,9,10)/t6-/m1/s1

InChIKey:

LENSSSSJMZWHIU-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@@](CC(O)O)(CC(=O)O)O
ACDLabs 12.01	OC(=O)CC(O)(C)CC(O)O
CACTVS 3.385	C[C@@](O)(CC(O)O)CC(O)=O
OpenEye OEToolkits 2.0.7	CC(CC(O)O)(CC(=O)O)O
CACTVS 3.385	C[C](O)(CC(O)O)CC(O)=O

Name:

(3R)-3,5,5-trihydroxy-3-methylpentanoic 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).