BioLiP

PDB

BioLiP

PDB CCD ID:

SU8

Number of entries in BioLiP:

Chemical formula:

C8 H14 O4

InChI:

InChI=1S/C8H14O4/c1-2-3-4-6(8(11)12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1

InChIKey:

WOPLHDNLGYOSPG-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCC(CC(=O)O)C(=O)O
CACTVS 3.385	CCCC[C@H](CC(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)C(CC(=O)O)CCCC
CACTVS 3.385	CCCC[CH](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	CCCC[C@H](CC(=O)O)C(=O)O

Name:

(2R)-2-butylbutanedioic acid;
(2R)-2-butylsuccinic acid

ZINC:

ZINC000003198940

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).