SEQ2FUN

BioLiP

PDB CCD ID: 3HG
Number of entries in BioLiP: 2
Chemical formula: C5 H8 O5
InChI: InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChIKey: ZQHYXNSQOIDNTL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(CC(=O)O)O)C(=O)O
ACDLabs 10.04O=C(O)CC(O)CC(=O)O
CACTVS 3.341OC(CC(O)=O)CC(O)=O
Name:3-HYDROXYPENTANEDIOIC ACID;
3-HYDROXYGLUTARIC ACID
ChEMBL: CHEMBL556937
DrugBank: DB04594
ZINC: ZINC000002556454
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).