BioLiP

PDB

BioLiP

PDB CCD ID:

FLC

Number of entries in BioLiP:

226

Chemical formula:

C6 H5 O7

InChI:

InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3

InChIKey:

KRKNYBCHXYNGOX-UHFFFAOYSA-K

SMILES:

Software	SMILES
CACTVS 3.341	OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04	O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]

Name:

CITRATE ANION

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).