BioLiP

PDB

BioLiP

PDB CCD ID:

QA8

Number of entries in BioLiP:

Chemical formula:

C7 H10 O5

InChI:

InChI=1S/C7H10O5/c1-2-4(3-5(8)9)6(10)7(11)12/h4H,2-3H2,1H3,(H,8,9)(H,11,12)/t4-/m1/s1

InChIKey:

SWPMNQDYIMXOTM-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC[C@H](CC(=O)O)C(=O)C(=O)O
CACTVS 3.385	CC[C@H](CC(O)=O)C(=O)C(O)=O
OpenEye OEToolkits 2.0.7	CCC(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385	CC[CH](CC(O)=O)C(=O)C(O)=O

Name:

(3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid;
3-ethyl-2-oxoglutarate

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).