BioLiP

PDB

BioLiP

PDB CCD ID:

R35

Number of entries in BioLiP:

Chemical formula:

C8 H14 O4

InChI:

InChI=1S/C8H14O4/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-/m0/s1

InChIKey:

YWCIQVCLMJYZBD-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)(C)[C@@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0	CC(C)(C)[C@@H](CC(=O)O)C(=O)O
ACDLabs 12.01	O=C(O)C(CC(=O)O)C(C)(C)C
OpenEye OEToolkits 1.7.0	CC(C)(C)C(CC(=O)O)C(=O)O
CACTVS 3.370	CC(C)(C)[CH](CC(O)=O)C(O)=O

Name:

(2R)-2-tert-butylbutanedioic 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).