SEQ2FUN

BioLiP

PDB CCD ID: P7W
Number of entries in BioLiP: 2
Chemical formula: C8 H12 O6
InChI: InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKey: ROTJZTYLACIJIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C(CC(=O)O)C(CCC(=O)O)C(=O)O
CACTVS 3.385OC(=O)CCC(CCC(O)=O)C(O)=O
Name:pentane-1,3,5-tricarboxylic acid
ZINC: ZINC000001690029
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).