BioLiP

PDB

BioLiP

PDB CCD ID:

HCT

Number of entries in BioLiP:

Chemical formula:

C7 H10 O6

InChI:

InChI=1S/C7H10O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t4-/m1/s1

InChIKey:

LOGBRYZYTBQBTB-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)CC[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(CC(=O)O)[C@H](CC(=O)O)C(=O)O
CACTVS 3.341	OC(=O)CC[CH](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(CC(=O)O)C(CC(=O)O)C(=O)O
ACDLabs 10.04	O=C(O)CCC(C(=O)O)CC(=O)O

Name:

(2R)-butane-1,2,4-tricarboxylic acid

ZINC:

ZINC000001586744

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).